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

Systemtic Name: N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-[(3-nitrophenyl)sulfonylamino]cyclohexane-1-carboxamide Openeye Name: N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-[(3-nitrophenyl)sulfonylamino]cyclohexanecarboxamide CAS Name: N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-[(3-nitrophenyl)sulfonylamino]-1-cyclohexanecarboxamide IUPAC Name: N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-[(3-nitrophenyl)sulfonylamino]cyclohexane-1-carboxamide Traditional Name: N-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-[(3-nitrophenyl)sulfonylamino]cyclohexanecarboxamide Formula: C29H29N5O6S MolecularWeight: 575.63546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C3(CCCCC3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C3(CCCCC3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C29H29N5O6S/c1-33-24-16-7-6-15-23(24)25(20-11-4-2-5-12-20)30-26(27(33)35)31-28(36)29(17-8-3-9-18-29)32-41(39,40)22-14-10-13-21(19-22)34(37)38/h2,4-7,10-16,19,26,32H,3,8-9,17-18H2,1H3,(H,31,36)