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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

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