methyl 2-[[1-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]cyclohexyl]sulfamoyl]benzoate

Systemtic Name: methyl 2-[[1-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]cyclohexyl]sulfamoyl]benzoate Openeye Name: methyl 2-[[1-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]cyclohexyl]sulfamoyl]benzoate CAS Name: 2-[[1-[[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-oxomethyl]cyclohexyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]cyclohexyl]sulfamoyl]benzoate Traditional Name: 2-[[1-[(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]cyclohexyl]sulfamoyl]benzoic acid methyl ester Formula: C31H32N4O6S MolecularWeight: 588.67398

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C3(CCCCC3)NS(=O)(=O)C4=CC=CC=C4C(=O)OC)C5=CC=CC=C5

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C3(CCCCC3)NS(=O)(=O)C4=CC=CC=C4C(=O)OC)C5=CC=CC=C5

InChI

InChI=1S/C31H32N4O6S/c1-35-24-17-9-7-15-22(24)26(21-13-5-3-6-14-21)32-27(28(35)36)33-30(38)31(19-11-4-12-20-31)34-42(39,40)25-18-10-8-16-23(25)29(37)41-2/h3,5-10,13-18,27,34H,4,11-12,19-20H2,1-2H3,(H,33,38)