methyl 4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-1-(2-phenylphenyl)carbonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate

Systemtic Name: methyl 4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-1-(2-phenylphenyl)carbonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-1-(2-phenylbenzoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-1-[oxo-(2-phenylphenyl)methyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-1-(2-phenylbenzoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-1-(2-phenylbenzoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C35H32N2O7S MolecularWeight: 624.70278

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Descriptors Computed from Structure

Canonical SMILES:

COCC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)OC)C(=O)C4=CC=CC=C4C5=CC=CC=C5

Isomeric SMILES

COCC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)OC)C(=O)C4=CC=CC=C4C5=CC=CC=C5

InChI

InChI=1S/C35H32N2O7S/c1-42-22-10-11-23-44-28-18-20-29(21-19-28)45(40,41)37-24-27-14-6-9-17-32(27)36(25-33(37)35(39)43-2)34(38)31-16-8-7-15-30(31)26-12-4-3-5-13-26/h3-9,12-21,33H,22-25H2,1-2H3