1-(2-acetamidoethanoyl)-4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid

Systemtic Name: 1-(2-acetamidoethanoyl)-4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Openeye Name: 1-(2-acetamidoacetyl)-4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid CAS Name: 1-(2-acetamido-1-oxoethyl)-4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid IUPAC Name: 1-(2-acetamidoacetyl)-4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Traditional Name: 1-(2-acetamidoacetyl)-4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Formula: C25H27N3O8S MolecularWeight: 529.56218

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(=O)N1CC(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)OCC#CCOC)C(=O)O

Isomeric SMILES

CC(=O)NCC(=O)N1CC(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)OCC#CCOC)C(=O)O

InChI

InChI=1S/C25H27N3O8S/c1-18(29)26-15-24(30)27-17-23(25(31)32)28(16-19-7-3-4-8-22(19)27)37(33,34)21-11-9-20(10-12-21)36-14-6-5-13-35-2/h3-4,7-12,23H,13-17H2,1-2H3,(H,26,29)(H,31,32)