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

Systemtic Name: N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-[(4-phenoxyphenyl)sulfonylamino]cyclohexane-1-carboxamide Openeye Name: N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-[(4-phenoxyphenyl)sulfonylamino]cyclohexanecarboxamide CAS Name: N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-[(4-phenoxyphenyl)sulfonylamino]-1-cyclohexanecarboxamide IUPAC Name: N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-[(4-phenoxyphenyl)sulfonylamino]cyclohexane-1-carboxamide Traditional Name: N-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-[(4-phenoxyphenyl)sulfonylamino]cyclohexanecarboxamide Formula: C35H34N4O5S MolecularWeight: 622.73326

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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=C(C=C4)OC5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C3(CCCCC3)NS(=O)(=O)C4=CC=C(C=C4)OC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C35H34N4O5S/c1-39-30-18-10-9-17-29(30)31(25-13-5-2-6-14-25)36-32(33(39)40)37-34(41)35(23-11-4-12-24-35)38-45(42,43)28-21-19-27(20-22-28)44-26-15-7-3-8-16-26/h2-3,5-10,13-22,32,38H,4,11-12,23-24H2,1H3,(H,37,41)