3-(methylsulfanylmethyl)-N-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]benzamide

Systemtic Name: 3-(methylsulfanylmethyl)-N-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]benzamide Openeye Name: 3-(methylsulfanylmethyl)-N-[1-[5-(trifluoromethyl)-2-pyridyl]-4-piperidyl]benzamide CAS Name: 3-[(methylthio)methyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinyl]benzamide IUPAC Name: 3-(methylsulfanylmethyl)-N-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]benzamide Traditional Name: 3-[(methylthio)methyl]-N-[1-[5-(trifluoromethyl)-2-pyridyl]-4-piperidyl]benzamide Formula: C20H22F3N3OS MolecularWeight: 409.46839

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=CC(=C1)C(=O)NC2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

CSCC1=CC=CC(=C1)C(=O)NC2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H22F3N3OS/c1-28-13-14-3-2-4-15(11-14)19(27)25-17-7-9-26(10-8-17)18-6-5-16(12-24-18)20(21,22)23/h2-6,11-12,17H,7-10,13H2,1H3,(H,25,27)