N-(2-methylcyclohexyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-methylcyclohexyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-methylcyclohexyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-methylcyclohexyl)-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-methylcyclohexyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-methylcyclohexyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1CCCCC1NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H29N3O5S/c1-14-5-3-4-6-18(14)21-20(24)16-9-11-22(12-10-16)29(27,28)19-13-17(23(25)26)8-7-15(19)2/h7-8,13-14,16,18H,3-6,9-12H2,1-2H3,(H,21,24)