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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C)OC

InChI

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