4-(2-cyanoethylamino)-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-(2-cyanoethylamino)-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide Openeye Name: 4-(2-cyanoethylamino)-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide CAS Name: 4-(2-cyanoethylamino)-N-(4-methylcyclohexyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-(2-cyanoethylamino)-N-(4-methylcyclohexyl)-3-nitrobenzenesulfonamide Traditional Name: 4-(2-cyanoethylamino)-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide Formula: C16H22N4O4S MolecularWeight: 366.43528

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)NCCC#N)[N+](=O)[O-]

Isomeric SMILES

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)NCCC#N)[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O4S/c1-12-3-5-13(6-4-12)19-25(23,24)14-7-8-15(18-10-2-9-17)16(11-14)20(21)22/h7-8,11-13,18-19H,2-6,10H2,1H3