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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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