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

Systemtic Name: 1-(4-ethanoylphenyl)sulfonyl-N-(2-methyl-5-nitro-phenyl)piperidine-4-carboxamide Openeye Name: 1-(4-acetylphenyl)sulfonyl-N-(2-methyl-5-nitro-phenyl)piperidine-4-carboxamide CAS Name: 1-(4-acetylphenyl)sulfonyl-N-(2-methyl-5-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: 1-(4-acetylphenyl)sulfonyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide Traditional Name: 1-(4-acetylphenyl)sulfonyl-N-(2-methyl-5-nitro-phenyl)isonipecotamide Formula: C21H23N3O6S MolecularWeight: 445.48882

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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)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O6S/c1-14-3-6-18(24(27)28)13-20(14)22-21(26)17-9-11-23(12-10-17)31(29,30)19-7-4-16(5-8-19)15(2)25/h3-8,13,17H,9-12H2,1-2H3,(H,22,26)