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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: 1-[2-(trifluoromethyl)phenyl]sulfonyl-N-veratryl-isonipecotamide Formula: C22H25F3N2O5S MolecularWeight: 486.50451

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25F3N2O5S/c1-31-18-8-7-15(13-19(18)32-2)14-26-21(28)16-9-11-27(12-10-16)33(29,30)20-6-4-3-5-17(20)22(23,24)25/h3-8,13,16H,9-12,14H2,1-2H3,(H,26,28)