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

Systemtic Name: N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-[[2-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxamide Openeye Name: N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-[[2-(trifluoromethyl)phenyl]sulfonylamino]cyclohexanecarboxamide CAS Name: N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1-cyclohexanecarboxamide IUPAC Name: N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-[[2-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxamide Traditional Name: N-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-[[2-(trifluoromethyl)phenyl]sulfonylamino]cyclohexanecarboxamide Formula: C30H29F3N4O4S MolecularWeight: 598.63587

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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(F)(F)F)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C30H29F3N4O4S/c1-37-23-16-8-6-14-21(23)25(20-12-4-2-5-13-20)34-26(27(37)38)35-28(39)29(18-10-3-11-19-29)36-42(40,41)24-17-9-7-15-22(24)30(31,32)33/h2,4-9,12-17,26,36H,3,10-11,18-19H2,1H3,(H,35,39)