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

Systemtic Name: methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(4-phenylphenyl)carbonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(4-phenylbenzoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-[oxo-(4-phenylphenyl)methyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(4-phenylbenzoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(4-phenylbenzoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C34H30N2O6S MolecularWeight: 594.6768

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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)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CC#CCOC1=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/C34H30N2O6S/c1-3-4-22-42-29-18-20-30(21-19-29)43(39,40)36-23-28-12-8-9-13-31(28)35(24-32(36)34(38)41-2)33(37)27-16-14-26(15-17-27)25-10-6-5-7-11-25/h5-21,32H,22-24H2,1-2H3