N-[(3-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(3-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(3-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[(3-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(3-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-m-anisyl-1-[2-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C21H23F3N2O4S MolecularWeight: 456.47853

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H23F3N2O4S/c1-30-17-6-4-5-15(13-17)14-25-20(27)16-9-11-26(12-10-16)31(28,29)19-8-3-2-7-18(19)21(22,23)24/h2-8,13,16H,9-12,14H2,1H3,(H,25,27)