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

Systemtic Name: methyl 1-(2,4-dimethylphenyl)carbonyl-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 1-(2,4-dimethylbenzoyl)-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 1-[(2,4-dimethylphenyl)-oxomethyl]-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(2,4-dimethylbenzoyl)-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 1-(2,4-dimethylbenzoyl)-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C27H28N2O6S MolecularWeight: 508.58602

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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)OC)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)OC)C(=O)OC)C

InChI

InChI=1S/C27H28N2O6S/c1-18-9-14-23(19(2)15-18)26(30)28-17-25(27(31)35-4)29(16-20-7-5-6-8-24(20)28)36(32,33)22-12-10-21(34-3)11-13-22/h5-15,25H,16-17H2,1-4H3