1-[2-[bis(fluoranyl)methylsulfanyl]pyridin-3-yl]carbonyl-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[2-[bis(fluoranyl)methylsulfanyl]pyridin-3-yl]carbonyl-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[2-(difluoromethylthio)-3-pyridinyl]-oxomethyl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperidine-4-carboxamide Traditional Name: N-benzyl-1-[2-(difluoromethylthio)nicotinoyl]isonipecotamide Formula: C20H21F2N3O2S MolecularWeight: 405.461446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=CC=C2)C(=O)C3=C(N=CC=C3)SC(F)F

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=CC=C2)C(=O)C3=C(N=CC=C3)SC(F)F

InChI

InChI=1S/C20H21F2N3O2S/c21-20(22)28-18-16(7-4-10-23-18)19(27)25-11-8-15(9-12-25)17(26)24-13-14-5-2-1-3-6-14/h1-7,10,15,20H,8-9,11-13H2,(H,24,26)