N-(2,3-dimethylcyclohexyl)-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2,3-dimethylcyclohexyl)-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2,3-dimethylcyclohexyl)-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(2,3-dimethylcyclohexyl)-1-[4-(methylamino)-3-nitrophenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2,3-dimethylcyclohexyl)-1-[4-(methylamino)-3-nitrophenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(2,3-dimethylcyclohexyl)-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-isonipecotamide Formula: C21H32N4O5S MolecularWeight: 452.56758

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-]

Isomeric SMILES

CC1CCCC(C1C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-]

InChI

InChI=1S/C21H32N4O5S/c1-14-5-4-6-18(15(14)2)23-21(26)16-9-11-24(12-10-16)31(29,30)17-7-8-19(22-3)20(13-17)25(27)28/h7-8,13-16,18,22H,4-6,9-12H2,1-3H3,(H,23,26)