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

Systemtic Name: methyl 1-(2,4-dimethylphenyl)carbonyl-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 1-(2,4-dimethylbenzoyl)-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 1-[(2,4-dimethylphenyl)-oxomethyl]-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(2,4-dimethylbenzoyl)-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 1-(2,4-dimethylbenzoyl)-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C26H26N2O6S MolecularWeight: 494.55944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)N2CC(N(CC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)O)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)N2CC(N(CC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)O)C(=O)OC)C

InChI

InChI=1S/C26H26N2O6S/c1-17-8-13-22(18(2)14-17)25(30)27-16-24(26(31)34-3)28(15-19-6-4-5-7-23(19)27)35(32,33)21-11-9-20(29)10-12-21/h4-14,24,29H,15-16H2,1-3H3