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

Systemtic Name: N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-[[(E)-2-phenylethenyl]sulfonylamino]cyclohexane-1-carboxamide Openeye Name: N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-[[(E)-styryl]sulfonylamino]cyclohexanecarboxamide CAS Name: N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-[[(E)-2-phenylethenyl]sulfonylamino]-1-cyclohexanecarboxamide IUPAC Name: N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-[[(E)-2-phenylethenyl]sulfonylamino]cyclohexane-1-carboxamide Traditional Name: N-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-[[(E)-styryl]sulfonylamino]cyclohexanecarboxamide Formula: C31H32N4O4S MolecularWeight: 556.67518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H32N4O4S/c1-35-26-18-10-9-17-25(26)27(24-15-7-3-8-16-24)32-28(29(35)36)33-30(37)31(20-11-4-12-21-31)34-40(38,39)22-19-23-13-5-2-6-14-23/h2-3,5-10,13-19,22,28,34H,4,11-12,20-21H2,1H3,(H,33,37)/b22-19+