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

Systemtic Name: N-methyl-1-[2-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-methyl-1-[2-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-enoyl]piperidine-4-carboxamide CAS Name: 1-[2-[4-mercapto-3-(trifluoromethyl)phenyl]-1-oxoprop-2-enyl]-N-methyl-4-piperidinecarboxamide IUPAC Name: N-methyl-1-[2-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-enoyl]piperidine-4-carboxamide Traditional Name: 1-[2-[4-mercapto-3-(trifluoromethyl)phenyl]acryloyl]-N-methyl-isonipecotamide Formula: C17H19F3N2O2S MolecularWeight: 372.40517

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)S)C(F)(F)F

Isomeric SMILES

CNC(=O)C1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)S)C(F)(F)F

InChI

InChI=1S/C17H19F3N2O2S/c1-10(12-3-4-14(25)13(9-12)17(18,19)20)16(24)22-7-5-11(6-8-22)15(23)21-2/h3-4,9,11,25H,1,5-8H2,2H3,(H,21,23)