N-(3-phenylprop-2-ynyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-phenylprop-2-ynyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-phenylprop-2-ynyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(3-phenylprop-2-ynyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-phenylprop-2-ynyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-phenylprop-2-ynyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C22H21F3N2O3S MolecularWeight: 450.47395

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC#CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)NCC#CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C22H21F3N2O3S/c23-22(24,25)19-10-4-5-11-20(19)31(29,30)27-15-12-18(13-16-27)21(28)26-14-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-11,18H,12-16H2,(H,26,28)