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

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide Openeye Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(phenylthio)propyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide Traditional Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-[3-(phenylthio)propyl]isonipecotamide Formula: C21H23ClF3N3OS MolecularWeight: 457.94003

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCCSC2=CC=CC=C2)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NCCCSC2=CC=CC=C2)C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C21H23ClF3N3OS/c22-18-13-16(21(23,24)25)14-27-19(18)28-10-7-15(8-11-28)20(29)26-9-4-12-30-17-5-2-1-3-6-17/h1-3,5-6,13-15H,4,7-12H2,(H,26,29)