N-(2,3-dimethylcyclohexyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2,3-dimethylcyclohexyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2,3-dimethylcyclohexyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2,3-dimethylcyclohexyl)-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2,3-dimethylcyclohexyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2,3-dimethylcyclohexyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O5S/c1-14-5-4-6-19(16(14)3)22-21(25)17-9-11-23(12-10-17)30(28,29)20-13-18(24(26)27)8-7-15(20)2/h7-8,13-14,16-17,19H,4-6,9-12H2,1-3H3,(H,22,25)