methyl 1-(2-azanyl-3-oxidanylidene-butanoyl)-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate

Systemtic Name: methyl 1-(2-azanyl-3-oxidanylidene-butanoyl)-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 1-(2-amino-3-oxo-butanoyl)-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 1-(2-amino-1,3-dioxobutyl)-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(2-amino-3-oxobutanoyl)-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 1-(2-amino-3-keto-butanoyl)-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C21H23N3O7S MolecularWeight: 461.48822

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)N1CC(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)O)C(=O)OC)N

Isomeric SMILES

CC(=O)C(C(=O)N1CC(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)O)C(=O)OC)N

InChI

InChI=1S/C21H23N3O7S/c1-13(25)19(22)20(27)23-12-18(21(28)31-2)24(11-14-5-3-4-6-17(14)23)32(29,30)16-9-7-15(26)8-10-16/h3-10,18-19,26H,11-12,22H2,1-2H3