N-[2-(4-methylphenyl)sulfanylethyl]-1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide Openeye Name: N-[2-(p-tolylsulfanyl)ethyl]-1-[5-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide Traditional Name: N-[2-(p-tolylthio)ethyl]-1-[5-(trifluoromethyl)-2-pyridyl]isonipecotamide Formula: C21H24F3N3OS MolecularWeight: 423.49497

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H24F3N3OS/c1-15-2-5-18(6-3-15)29-13-10-25-20(28)16-8-11-27(12-9-16)19-7-4-17(14-26-19)21(22,23)24/h2-7,14,16H,8-13H2,1H3,(H,25,28)