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

Systemtic Name: methyl 4-(4-hydroxyphenyl)sulfonyl-1-(4-phenylphenyl)carbonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 4-(4-hydroxyphenyl)sulfonyl-1-(4-phenylbenzoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 4-(4-hydroxyphenyl)sulfonyl-1-[oxo-(4-phenylphenyl)methyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-hydroxyphenyl)sulfonyl-1-(4-phenylbenzoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 4-(4-hydroxyphenyl)sulfonyl-1-(4-phenylbenzoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C30H26N2O6S MolecularWeight: 542.60224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(C2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)O)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1CN(C2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)O)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H26N2O6S/c1-38-30(35)28-20-31(29(34)23-13-11-22(12-14-23)21-7-3-2-4-8-21)27-10-6-5-9-24(27)19-32(28)39(36,37)26-17-15-25(33)16-18-26/h2-18,28,33H,19-20H2,1H3