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

Systemtic Name: (3S)-1-[2-[bis(fluoranyl)methylsulfanyl]pyridin-3-yl]carbonyl-N-phenyl-piperidine-3-carboxamide Openeye Name: (3S)-1-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]-N-phenyl-piperidine-3-carboxamide CAS Name: (3S)-1-[[2-(difluoromethylthio)-3-pyridinyl]-oxomethyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]-N-phenylpiperidine-3-carboxamide Traditional Name: (3S)-1-[2-(difluoromethylthio)nicotinoyl]-N-phenyl-nipecotamide Formula: C19H19F2N3O2S MolecularWeight: 391.434866

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=C(N=CC=C2)SC(F)F)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=C(N=CC=C2)SC(F)F)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C19H19F2N3O2S/c20-19(21)27-17-15(9-4-10-22-17)18(26)24-11-5-6-13(12-24)16(25)23-14-7-2-1-3-8-14/h1-4,7-10,13,19H,5-6,11-12H2,(H,23,25)/t13-/m0/s1