methyl 1-(2,4-dimethylphenyl)carbonyl-4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate

Systemtic Name: methyl 1-(2,4-dimethylphenyl)carbonyl-4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 1-(2,4-dimethylbenzoyl)-4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 1-[(2,4-dimethylphenyl)-oxomethyl]-4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(2,4-dimethylbenzoyl)-4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 1-(2,4-dimethylbenzoyl)-4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C31H32N2O7S MolecularWeight: 576.65998

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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)OCC#CCOC)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)OCC#CCOC)C(=O)OC)C

InChI

InChI=1S/C31H32N2O7S/c1-22-11-16-27(23(2)19-22)30(34)32-21-29(31(35)39-4)33(20-24-9-5-6-10-28(24)32)41(36,37)26-14-12-25(13-15-26)40-18-8-7-17-38-3/h5-6,9-16,19,29H,17-18,20-21H2,1-4H3