N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-[(phenylmethyl)sulfonylamino]cyclohexane-1-carboxamide

Systemtic Name: N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-[(phenylmethyl)sulfonylamino]cyclohexane-1-carboxamide Openeye Name: 1-(benzylsulfonylamino)-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)cyclohexanecarboxamide CAS Name: N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-[(phenylmethyl)sulfonylamino]-1-cyclohexanecarboxamide IUPAC Name: 1-(benzylsulfonylamino)-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)cyclohexane-1-carboxamide Traditional Name: 1-(benzylsulfonylamino)-N-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)cyclohexanecarboxamide Formula: C30H32N4O4S MolecularWeight: 544.66448

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C3(CCCCC3)NS(=O)(=O)CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C3(CCCCC3)NS(=O)(=O)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H32N4O4S/c1-34-25-18-10-9-17-24(25)26(23-15-7-3-8-16-23)31-27(28(34)35)32-29(36)30(19-11-4-12-20-30)33-39(37,38)21-22-13-5-2-6-14-22/h2-3,5-10,13-18,27,33H,4,11-12,19-21H2,1H3,(H,32,36)