N-(3-piperidin-1-ylsulfonylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

Systemtic Name: N-(3-piperidin-1-ylsulfonylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide Openeye Name: N-[3-(1-piperidylsulfonyl)phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide CAS Name: N-[3-(1-piperidinylsulfonyl)phenyl]-3-[3-(trifluoromethyl)phenyl]-2-propenamide IUPAC Name: N-(3-piperidin-1-ylsulfonylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide Traditional Name: N-(3-piperidinosulfonylphenyl)-3-[3-(trifluoromethyl)phenyl]acrylamide Formula: C21H21F3N2O3S MolecularWeight: 438.46325

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C=CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C=CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H21F3N2O3S/c22-21(23,24)17-7-4-6-16(14-17)10-11-20(27)25-18-8-5-9-19(15-18)30(28,29)26-12-2-1-3-13-26/h4-11,14-15H,1-3,12-13H2,(H,25,27)