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

Systemtic Name: methyl 1-(2-azanyl-3-oxidanylidene-butanoyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 1-(2-amino-3-oxo-butanoyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 1-(2-amino-1,3-dioxobutyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(2-amino-3-oxobutanoyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 1-(2-amino-3-keto-butanoyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C25H27N3O7S MolecularWeight: 513.56278

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)OC)C(=O)C(C(=O)C)N

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)OC)C(=O)C(C(=O)C)N

InChI

InChI=1S/C25H27N3O7S/c1-4-5-14-35-19-10-12-20(13-11-19)36(32,33)28-15-18-8-6-7-9-21(18)27(16-22(28)25(31)34-3)24(30)23(26)17(2)29/h6-13,22-23H,14-16,26H2,1-3H3