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Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.
Phenylcarbamic acid esters (57)
Benzenesulfonamides (8)
Benzoyl derivatives (6)
Benzophenones (5)
Bromobenzenes (4)
Fluorobenzenes (4)
Benzyl Derivatives (4)
Phenoxy compounds (3)
Phenylmethylamines (2)
Trifluoromethylbenzenes (1)

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1 – 15 of 42 results
1

Phenyl carbamate, 98+%

CAS: 622-46-8 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.138 MDL Number: MFCD00007961 InChI Key: BSCCSDNZEIHXOK-UHFFFAOYSA-N Synonym: carbamic acid, phenyl ester,phenol carbamate,carbamic acid phenyl ester,unii-jkb257u27v,o-phenyl carbamate,ccris 5071,phenyl aminooate,mono-phenylcarbamate,mono-phenol carbamate,phenyl carbamate PubChem CID: 69322 IUPAC Name: phenyl carbamate SMILES: C1=CC=C(C=C1)OC(=O)N

PubChem CID 69322
CAS 622-46-8
Molecular Weight (g/mol) 137.138
MDL Number MFCD00007961
SMILES C1=CC=C(C=C1)OC(=O)N
Synonym carbamic acid, phenyl ester,phenol carbamate,carbamic acid phenyl ester,unii-jkb257u27v,o-phenyl carbamate,ccris 5071,phenyl aminooate,mono-phenylcarbamate,mono-phenol carbamate,phenyl carbamate
IUPAC Name phenyl carbamate
InChI Key BSCCSDNZEIHXOK-UHFFFAOYSA-N
Molecular Formula C7H7NO2
2

methyl N-(3,5-dichlorophenyl)carbamate, Thermo Scientific™

CAS: 25217-43-0 Molecular Formula: C8H7Cl2NO2 Molecular Weight (g/mol): 220.05 MDL Number: MFCD00126402 InChI Key: FRSRGACXHCLBTC-UHFFFAOYSA-N Synonym: methyl 3,5-dichlorophenyl carbamate,methyl n-3,5-dichlorophenyl carbamate,mdpc,methyl 3,5-dichlorocarbanilate,3,5-dichlorocarbanilic acid methyl ester,carbamic acid, 3,5-dichlorophenyl-, methyl ester 9ci,carbanilic acid, 3,5-dichloro-, methyl ester,n-3,5-dichlorophenyl methoxycarboxamide,maybridge1_000169 PubChem CID: 32842 IUPAC Name: methyl N-(3,5-dichlorophenyl)carbamate SMILES: COC(=O)NC1=CC(Cl)=CC(Cl)=C1

PubChem CID 32842
CAS 25217-43-0
Molecular Weight (g/mol) 220.05
MDL Number MFCD00126402
SMILES COC(=O)NC1=CC(Cl)=CC(Cl)=C1
Synonym methyl 3,5-dichlorophenyl carbamate,methyl n-3,5-dichlorophenyl carbamate,mdpc,methyl 3,5-dichlorocarbanilate,3,5-dichlorocarbanilic acid methyl ester,carbamic acid, 3,5-dichlorophenyl-, methyl ester 9ci,carbanilic acid, 3,5-dichloro-, methyl ester,n-3,5-dichlorophenyl methoxycarboxamide,maybridge1_000169
IUPAC Name methyl N-(3,5-dichlorophenyl)carbamate
InChI Key FRSRGACXHCLBTC-UHFFFAOYSA-N
Molecular Formula C8H7Cl2NO2
3

tert-Butyl N-(4-formylbenzyl)carbamate, 97%, Thermo Scientific™

CAS: 156866-52-3 Molecular Formula: C13H17NO3 Molecular Weight (g/mol): 235.283 InChI Key: HRJJBEIFHFVBRT-UHFFFAOYSA-N Synonym: tert-butyl 4-formylbenzylcarbamate,tert-butyl n-4-formylbenzyl carbamate,tert-butyl n-4-formylphenyl methyl carbamate,tert-butyln-4-formylbenzyl carbamate,tert-butyl 4-formylbenzyl carbamate,tert-butyln-4-formylphenyl methyl carbamate,n-boc-4-aminomethylbenzaldehyde,tert-butyl n-4 formylbenzyl carbamate,4-aminomethyl benzaldehyde,n-boc protected,4-formyl-benzyl-carbamic acid t-butyl ester PubChem CID: 2794832 IUPAC Name: tert-butyl N-[(4-formylphenyl)methyl]carbamate SMILES: CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C=O

PubChem CID 2794832
CAS 156866-52-3
Molecular Weight (g/mol) 235.283
SMILES CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C=O
Synonym tert-butyl 4-formylbenzylcarbamate,tert-butyl n-4-formylbenzyl carbamate,tert-butyl n-4-formylphenyl methyl carbamate,tert-butyln-4-formylbenzyl carbamate,tert-butyl 4-formylbenzyl carbamate,tert-butyln-4-formylphenyl methyl carbamate,n-boc-4-aminomethylbenzaldehyde,tert-butyl n-4 formylbenzyl carbamate,4-aminomethyl benzaldehyde,n-boc protected,4-formyl-benzyl-carbamic acid t-butyl ester
IUPAC Name tert-butyl N-[(4-formylphenyl)methyl]carbamate
InChI Key HRJJBEIFHFVBRT-UHFFFAOYSA-N
Molecular Formula C13H17NO3
4

tert-Butyl N-(3-formylbenzyl)carbamate, 90%, Thermo Scientific™

CAS: 170853-04-0 Molecular Formula: C13H17NO3 Molecular Weight (g/mol): 235.283 InChI Key: JORXNWZTJLYRQA-UHFFFAOYSA-N PubChem CID: 2794834 IUPAC Name: tert-butyl N-[(3-formylphenyl)methyl]carbamate SMILES: CC(C)(C)OC(=O)NCC1=CC=CC(=C1)C=O

PubChem CID 2794834
CAS 170853-04-0
Molecular Weight (g/mol) 235.283
SMILES CC(C)(C)OC(=O)NCC1=CC=CC(=C1)C=O
IUPAC Name tert-butyl N-[(3-formylphenyl)methyl]carbamate
InChI Key JORXNWZTJLYRQA-UHFFFAOYSA-N
Molecular Formula C13H17NO3
5

tert-Butyl N-[4-(aminomethyl)phenyl]carbamate, 97%, Thermo Scientific™

CAS: 220298-96-4 Molecular Formula: C12H18N2O2 Molecular Weight (g/mol): 222.29 MDL Number: MFCD02183573 InChI Key: URXUHALBOWYXJZ-UHFFFAOYSA-N Synonym: tert-butyl n-4-aminomethyl phenyl carbamate,4-aminomethyl-1-n-boc-aniline,tert-butyl 4-aminomethyl phenyl carbamate,4-boc-amino benzylamine,4-aminomethy-1-n-boc-aniline,4-n-boc-amino benzylamine,4-tert-butoxycarbonylamino benzylamine,4-aminomethyl-n-boc-aniline,tert-butyl-n-4-aminomethyl phenyl carbamate PubChem CID: 2794659 IUPAC Name: tert-butyl N-[4-(aminomethyl)phenyl]carbamate SMILES: CC(C)(C)OC(=O)NC1=CC=C(CN)C=C1

PubChem CID 2794659
CAS 220298-96-4
Molecular Weight (g/mol) 222.29
MDL Number MFCD02183573
SMILES CC(C)(C)OC(=O)NC1=CC=C(CN)C=C1
Synonym tert-butyl n-4-aminomethyl phenyl carbamate,4-aminomethyl-1-n-boc-aniline,tert-butyl 4-aminomethyl phenyl carbamate,4-boc-amino benzylamine,4-aminomethy-1-n-boc-aniline,4-n-boc-amino benzylamine,4-tert-butoxycarbonylamino benzylamine,4-aminomethyl-n-boc-aniline,tert-butyl-n-4-aminomethyl phenyl carbamate
IUPAC Name tert-butyl N-[4-(aminomethyl)phenyl]carbamate
InChI Key URXUHALBOWYXJZ-UHFFFAOYSA-N
Molecular Formula C12H18N2O2
6

tert-Butyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate, 97+%, Thermo Scientific Chemicals

CAS: 330793-01-6 Molecular Formula: C17H26BNO4 Molecular Weight (g/mol): 319.21 MDL Number: MFCD02179439 InChI Key: HSJNIOYPTSKQBD-UHFFFAOYSA-N Synonym: 4-n-boc-amino phenylboronic acid pinacol ester,tert-butyl 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,4-boc-amino benzeneboronic acid pinacol ester,tert-butyl n-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,4-boc-amino phenylboronic acid pinacol cyclic ester,4-boc-aminophenylboronic acid, pinacol ester,4-tert-butoxycarbonyl aminophenylboronic acid, pinacol ester,tert-butyl n-4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,tert-butyl 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenylcarbamate PubChem CID: 2734617 IUPAC Name: tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate SMILES: CC(C)(C)OC(=O)NC1=CC=C(C=C1)B1OC(C)(C)C(C)(C)O1

PubChem CID 2734617
CAS 330793-01-6
Molecular Weight (g/mol) 319.21
MDL Number MFCD02179439
SMILES CC(C)(C)OC(=O)NC1=CC=C(C=C1)B1OC(C)(C)C(C)(C)O1
Synonym 4-n-boc-amino phenylboronic acid pinacol ester,tert-butyl 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,4-boc-amino benzeneboronic acid pinacol ester,tert-butyl n-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,4-boc-amino phenylboronic acid pinacol cyclic ester,4-boc-aminophenylboronic acid, pinacol ester,4-tert-butoxycarbonyl aminophenylboronic acid, pinacol ester,tert-butyl n-4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,tert-butyl 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenylcarbamate
IUPAC Name tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
InChI Key HSJNIOYPTSKQBD-UHFFFAOYSA-N
Molecular Formula C17H26BNO4
8

Benzyl N-(4-nitrophenyl)carbamate, TRC

CAS: 53821-12-8 Molecular Formula: C14H12N2O4 Molecular Weight (g/mol): 272.26 Synonym: (4-Nitrophenyl)carbamic Acid Phenylmethyl Ester;p-Nitrocarbanilic Acid Benzyl Ester,Benzyl N-(4-nitrophenyl)carbamate,NSC 171077 IUPAC Name: benzyl N-(4-nitrophenyl)carbamate SMILES: [O-][N+](=O)c1ccc(NC(=O)OCc2ccccc2)cc1

CAS 53821-12-8
Molecular Weight (g/mol) 272.26
SMILES [O-][N+](=O)c1ccc(NC(=O)OCc2ccccc2)cc1
Synonym (4-Nitrophenyl)carbamic Acid Phenylmethyl Ester;p-Nitrocarbanilic Acid Benzyl Ester,Benzyl N-(4-nitrophenyl)carbamate,NSC 171077
IUPAC Name benzyl N-(4-nitrophenyl)carbamate
Molecular Formula C14H12N2O4
9

Phenyl[2-phenylthio)phenyl]carbamate, TRC

CAS: 111974-73-3 Molecular Formula: C19 H15 N O2 S Molecular Weight (g/mol): 321.39 Synonym: Carbamic acid, N-[2-(phenylthio)phenyl]-, phenyl ester,Carbamic acid, [2-(phenylthio)phenyl]-, phenyl ester (9CI),Phenyl [2-(phenylthio)phenyl]carbamate,Phenyl N-[(2-Phenylsulfanyl)phenyl]carbamate,N-[2-(Phenylthio)phenyl]carbamic Acid Phenyl Ester IUPAC Name: phenyl N-(2-phenylsulfanylphenyl)carbamate SMILES: O=C(Nc1ccccc1Sc2ccccc2)Oc3ccccc3

CAS 111974-73-3
Molecular Weight (g/mol) 321.39
SMILES O=C(Nc1ccccc1Sc2ccccc2)Oc3ccccc3
Synonym Carbamic acid, N-[2-(phenylthio)phenyl]-, phenyl ester,Carbamic acid, [2-(phenylthio)phenyl]-, phenyl ester (9CI),Phenyl [2-(phenylthio)phenyl]carbamate,Phenyl N-[(2-Phenylsulfanyl)phenyl]carbamate,N-[2-(Phenylthio)phenyl]carbamic Acid Phenyl Ester
IUPAC Name phenyl N-(2-phenylsulfanylphenyl)carbamate
Molecular Formula C19 H15 N O2 S
10

Efavirenz Amino Alcohol Ethyl Carbamate, TRC

CAS: 211563-41-6 Molecular Formula: C16 H15 Cl F3 N O3 Molecular Weight (g/mol): 361.74 Synonym: Carbamic acid, [4-chloro-2-[(1S)-3-cyclopropyl-1-hydroxy-1-(trifluoromethyl)-2-propynyl]phenyl]-, ethyl ester (9CI),[4-Chloro-2-[(1S)-3-cyclopropyl-1-hydroxy-1-(trifluoromethyl)-2-propynyl]phenyl]carbamic Acid Ethyl Ester,Ethyl N-[4-Chloro-2-[(1S)-3-cyclopropyl-1-hydroxy-1-(trifluoromethyl)prop-2-yn-1-yl]phenyl]carbamate IUPAC Name: ethyl N-[4-chloro-2-[(2S)-4-cyclopropyl-1,1,1-trifluoro-2-hydroxybut-3-yn-2-yl]phenyl]carbamate SMILES: CCOC(=O)Nc1ccc(Cl)cc1[C@@](O)(C#CC2CC2)C(F)(F)F

CAS 211563-41-6
Molecular Weight (g/mol) 361.74
SMILES CCOC(=O)Nc1ccc(Cl)cc1[C@@](O)(C#CC2CC2)C(F)(F)F
Synonym Carbamic acid, [4-chloro-2-[(1S)-3-cyclopropyl-1-hydroxy-1-(trifluoromethyl)-2-propynyl]phenyl]-, ethyl ester (9CI),[4-Chloro-2-[(1S)-3-cyclopropyl-1-hydroxy-1-(trifluoromethyl)-2-propynyl]phenyl]carbamic Acid Ethyl Ester,Ethyl N-[4-Chloro-2-[(1S)-3-cyclopropyl-1-hydroxy-1-(trifluoromethyl)prop-2-yn-1-yl]phenyl]carbamate
IUPAC Name ethyl N-[4-chloro-2-[(2S)-4-cyclopropyl-1,1,1-trifluoro-2-hydroxybut-3-yn-2-yl]phenyl]carbamate
Molecular Formula C16 H15 Cl F3 N O3
11

Ethyl (4-Chloro-3-(trifluoromethyl)phenyl)carbamate, TRC

CAS: 18585-06-3 Molecular Formula: C10H9ClF3NO2 Molecular Weight (g/mol): 267.63 Synonym: N-[4-Chloro-3-(trifluoromethyl)phenyl]carbamic Acid Ethyl Ester,[4-Chloro-3-(trifluoromethyl)phenyl]carbamic Acid Ethyl Ester,4-Chloro-3-(trifluoromethyl)carbanilic Acid Ethyl Ester,Sorafenib Impurity 2 SMILES: CCOC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F

CAS 18585-06-3
Molecular Weight (g/mol) 267.63
SMILES CCOC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Synonym N-[4-Chloro-3-(trifluoromethyl)phenyl]carbamic Acid Ethyl Ester,[4-Chloro-3-(trifluoromethyl)phenyl]carbamic Acid Ethyl Ester,4-Chloro-3-(trifluoromethyl)carbanilic Acid Ethyl Ester,Sorafenib Impurity 2
Molecular Formula C10H9ClF3NO2
12

Ethyl 4-[2-(5-Chloro-2-methoxybenzamido)ethyl]benzene Sulfonamide Carbamate, TRC

CAS: 14511-59-2 Molecular Formula: C19 H21 Cl N2 O6 S Molecular Weight (g/mol): 440.9 IUPAC Name: ethyl N-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamate SMILES: CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cc(Cl)ccc2OC)cc1

CAS 14511-59-2
Molecular Weight (g/mol) 440.9
SMILES CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cc(Cl)ccc2OC)cc1
IUPAC Name ethyl N-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamate
Molecular Formula C19 H21 Cl N2 O6 S
13

Methyl 4-[beta-(5-Methylpyrazine-2-carboxamido)ethyl]benzene Sulfonamide Carbamate, TRC

CAS: 33288-74-3 Molecular Formula: C16 H18 N4 O5 S Molecular Weight (g/mol): 378.4 Synonym: Methyl [[4-[2-[[(5-Methylpyrazin-2-yl)carbonyl]amino]ethyl]phenyl]sulphonyl]carbamate,Methyl [[4-[2-[[(5-Methylpyrazin-2-yl)carbonyl]amino]ethyl]phenyl]sulfonyl]carbamate,Carbamic acid, N-[[4-[2-[[(5-methyl-2-pyrazinyl)carbonyl]amino]ethyl]phenyl]sulfonyl]-, methyl ester,Carbamic acid, [[4-[2-[[(5-methylpyrazinyl)carbonyl]amino]ethyl]phenyl]sulfonyl]-, methyl ester (9CI),Carbamic acid, [[p-[2-(5-methylpyrazinecarboxamido)ethyl]phenyl]sulfonyl]-, methyl ester (8CI),N-[4-[β-(5-Methylpyrazine-2-carboxamido)ethyl]phenylsulfonyl]methylurethane IUPAC Name: methyl N-[4-[2-[(5-methylpyrazine-2-carbonyl)amino]ethyl]phenyl]sulfonylcarbamate SMILES: COC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cnc(C)cn2)cc1

CAS 33288-74-3
Molecular Weight (g/mol) 378.4
SMILES COC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cnc(C)cn2)cc1
Synonym Methyl [[4-[2-[[(5-Methylpyrazin-2-yl)carbonyl]amino]ethyl]phenyl]sulphonyl]carbamate,Methyl [[4-[2-[[(5-Methylpyrazin-2-yl)carbonyl]amino]ethyl]phenyl]sulfonyl]carbamate,Carbamic acid, N-[[4-[2-[[(5-methyl-2-pyrazinyl)carbonyl]amino]ethyl]phenyl]sulfonyl]-, methyl ester,Carbamic acid, [[4-[2-[[(5-methylpyrazinyl)carbonyl]amino]ethyl]phenyl]sulfonyl]-, methyl ester (9CI),Carbamic acid, [[p-[2-(5-methylpyrazinecarboxamido)ethyl]phenyl]sulfonyl]-, methyl ester (8CI),N-[4-[β-(5-Methylpyrazine-2-carboxamido)ethyl]phenylsulfonyl]methylurethane
IUPAC Name methyl N-[4-[2-[(5-methylpyrazine-2-carbonyl)amino]ethyl]phenyl]sulfonylcarbamate
Molecular Formula C16 H18 N4 O5 S
14

[4-[2-[[(3-Ethyl-2,5-dihydro-4-methyl-2-oxo-1H-pyrrol-1-yl)carbonyl]amino]ethyl]phenyl]sulfonyl]carbamic Acid Ethyl Ester, TRC

CAS: 318515-70-7 Molecular Weight (g/mol): 423.48 IUPAC Name: ethyl N-[4-[2-[(4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carbonyl)amino]ethyl]phenyl]sulfonylcarbamate SMILES: CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)N2CC(=C(CC)C2=O)C)cc1

CAS 318515-70-7
Molecular Weight (g/mol) 423.48
SMILES CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)N2CC(=C(CC)C2=O)C)cc1
IUPAC Name ethyl N-[4-[2-[(4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carbonyl)amino]ethyl]phenyl]sulfonylcarbamate
15

N-[[4-[2-[[(3-Ethyl-2,5-dihydro-4-methyl-2-oxo-1H-pyrrol-1-yl)carbonyl]amino]ethyl]phenyl]sulfonyl]carbamic Acid Methyl Ester, TRC

CAS: 119018-30-3 Molecular Formula: C18 H23 N3 O6 S Molecular Weight (g/mol): 409.46 Synonym: Carbamic acid, N-[[4-[2-[[(3-ethyl-2,5-dihydro-4-methyl-2-oxo-1H-pyrrol-1-yl)carbonyl]amino]ethyl]phenyl]sulfonyl]-, methyl ester,Carbamic acid, [[4-[2-[[(3-ethyl-2,5-dihydro-4-methyl-2-oxo-1H-pyrrol-1-yl)carbonyl]amino]ethyl]phenyl]sulfonyl]-, methyl ester (9CI),Methyl N-[[4-[2-[[(3-ethyl-2,5-dihydro-4-methyl-2-oxo-1H-pyrrol-1-yl)carbonyl]amino]ethyl]phenyl]sulfonyl]carbamate,Methyl [[4-[2-[[(3-Ethyl-4-methyl-2-oxo-2,3-dihydro-1H-pyrrol-1-yl)carbonyl]amino]ethyl]phenyl]sulphonyl]carbamate,Glimepiride Carbamate,Glimepiride urethane IUPAC Name: methyl N-[4-[2-[(4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carbonyl)amino]ethyl]phenyl]sulfonylcarbamate SMILES: CCC1=C(C)CN(C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)OC)C1=O

CAS 119018-30-3
Molecular Weight (g/mol) 409.46
SMILES CCC1=C(C)CN(C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)OC)C1=O
Synonym Carbamic acid, N-[[4-[2-[[(3-ethyl-2,5-dihydro-4-methyl-2-oxo-1H-pyrrol-1-yl)carbonyl]amino]ethyl]phenyl]sulfonyl]-, methyl ester,Carbamic acid, [[4-[2-[[(3-ethyl-2,5-dihydro-4-methyl-2-oxo-1H-pyrrol-1-yl)carbonyl]amino]ethyl]phenyl]sulfonyl]-, methyl ester (9CI),Methyl N-[[4-[2-[[(3-ethyl-2,5-dihydro-4-methyl-2-oxo-1H-pyrrol-1-yl)carbonyl]amino]ethyl]phenyl]sulfonyl]carbamate,Methyl [[4-[2-[[(3-Ethyl-4-methyl-2-oxo-2,3-dihydro-1H-pyrrol-1-yl)carbonyl]amino]ethyl]phenyl]sulphonyl]carbamate,Glimepiride Carbamate,Glimepiride urethane
IUPAC Name methyl N-[4-[2-[(4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carbonyl)amino]ethyl]phenyl]sulfonylcarbamate
Molecular Formula C18 H23 N3 O6 S