N-ethylsulfonyl-1-[2-[3-(trifluoromethyl)phenyl]prop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-ethylsulfonyl-1-[2-[3-(trifluoromethyl)phenyl]prop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-ethylsulfonyl-1-[2-[3-(trifluoromethyl)phenyl]prop-2-enoyl]piperidine-4-carboxamide CAS Name: N-ethylsulfonyl-1-[1-oxo-2-[3-(trifluoromethyl)phenyl]prop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-ethylsulfonyl-1-[2-[3-(trifluoromethyl)phenyl]prop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-esyl-1-[2-[3-(trifluoromethyl)phenyl]acryloyl]isonipecotamide Formula: C18H21F3N2O4S MolecularWeight: 418.43055

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC(=O)C1CCN(CC1)C(=O)C(=C)C2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CCS(=O)(=O)NC(=O)C1CCN(CC1)C(=O)C(=C)C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C18H21F3N2O4S/c1-3-28(26,27)22-16(24)13-7-9-23(10-8-13)17(25)12(2)14-5-4-6-15(11-14)18(19,20)21/h4-6,11,13H,2-3,7-10H2,1H3,(H,22,24)