N-(6-ethanoyl-1,3-benzodioxol-5-yl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C22H21F3N2O6S MolecularWeight: 498.47215

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F)OCO2

InChI

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