N-(4-ethanoylphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-ethanoylphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-acetylphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(4-acetylphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-acetylphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-acetylphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C21H21F3N2O4S MolecularWeight: 454.46265

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H21F3N2O4S/c1-14(27)15-5-7-18(8-6-15)25-20(28)16-9-11-26(12-10-16)31(29,30)19-4-2-3-17(13-19)21(22,23)24/h2-8,13,16H,9-12H2,1H3,(H,25,28)