N-(6-ethanoyl-1,3-benzodioxol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C22H21F3N2O6S MolecularWeight: 498.47215

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F)OCO2

InChI

InChI=1S/C22H21F3N2O6S/c1-13(28)17-10-19-20(33-12-32-19)11-18(17)26-21(29)14-5-7-27(8-6-14)34(30,31)16-4-2-3-15(9-16)22(23,24)25/h2-4,9-11,14H,5-8,12H2,1H3,(H,26,29)