1-[2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylethanoyl]-N-phenyl-piperidine-4-carboxamide

Systemtic Name: 1-[2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylethanoyl]-N-phenyl-piperidine-4-carboxamide Openeye Name: 1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]acetyl]-N-phenyl-piperidine-4-carboxamide CAS Name: 1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-1-oxoethyl]-N-phenyl-4-piperidinecarboxamide IUPAC Name: 1-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]-N-phenylpiperidine-4-carboxamide Traditional Name: 1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]acetyl]-N-phenyl-isonipecotamide Formula: C20H19ClF3N3O2S MolecularWeight: 457.89697

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC=C2)C(=O)CSC3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC=C2)C(=O)CSC3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C20H19ClF3N3O2S/c21-16-10-14(20(22,23)24)11-25-19(16)30-12-17(28)27-8-6-13(7-9-27)18(29)26-15-4-2-1-3-5-15/h1-5,10-11,13H,6-9,12H2,(H,26,29)