methyl 4-(4-methoxyphenyl)sulfonyl-1-(4-phenylphenyl)carbonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate

Systemtic Name: methyl 4-(4-methoxyphenyl)sulfonyl-1-(4-phenylphenyl)carbonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 4-(4-methoxyphenyl)sulfonyl-1-(4-phenylbenzoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 4-(4-methoxyphenyl)sulfonyl-1-[oxo-(4-phenylphenyl)methyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-methoxyphenyl)sulfonyl-1-(4-phenylbenzoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 4-(4-methoxyphenyl)sulfonyl-1-(4-phenylbenzoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C31H28N2O6S MolecularWeight: 556.62882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)OC)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)OC)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H28N2O6S/c1-38-26-16-18-27(19-17-26)40(36,37)33-20-25-10-6-7-11-28(25)32(21-29(33)31(35)39-2)30(34)24-14-12-23(13-15-24)22-8-4-3-5-9-22/h3-19,29H,20-21H2,1-2H3