N-(4-ethylphenyl)-1-[3-(trifluoromethyloxy)phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-ethylphenyl)-1-[3-(trifluoromethyloxy)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-ethylphenyl)-1-[3-(trifluoromethoxy)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(4-ethylphenyl)-1-[3-(trifluoromethoxy)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-ethylphenyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-ethylphenyl)-1-[3-(trifluoromethoxy)phenyl]sulfonyl-isonipecotamide Formula: C21H23F3N2O4S MolecularWeight: 456.47853

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)OC(F)(F)F

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)OC(F)(F)F

InChI

InChI=1S/C21H23F3N2O4S/c1-2-15-6-8-17(9-7-15)25-20(27)16-10-12-26(13-11-16)31(28,29)19-5-3-4-18(14-19)30-21(22,23)24/h3-9,14,16H,2,10-13H2,1H3,(H,25,27)