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

Systemtic Name: 1-(4-methoxy-3-methyl-phenyl)sulfonyl-N-(2-methyl-5-nitro-phenyl)piperidine-4-carboxamide Openeye Name: 1-(4-methoxy-3-methyl-phenyl)sulfonyl-N-(2-methyl-5-nitro-phenyl)piperidine-4-carboxamide CAS Name: 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(2-methyl-5-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide Traditional Name: 1-(4-methoxy-3-methyl-phenyl)sulfonyl-N-(2-methyl-5-nitro-phenyl)isonipecotamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)C

InChI

InChI=1S/C21H25N3O6S/c1-14-4-5-17(24(26)27)13-19(14)22-21(25)16-8-10-23(11-9-16)31(28,29)18-6-7-20(30-3)15(2)12-18/h4-7,12-13,16H,8-11H2,1-3H3,(H,22,25)