1-[2-[bis(fluoranyl)methylsulfanyl]phenyl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[2-[bis(fluoranyl)methylsulfanyl]phenyl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[2-(difluoromethylsulfanyl)benzoyl]piperidine-4-carboxylic acid CAS Name: 1-[[2-(difluoromethylthio)phenyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(difluoromethylsulfanyl)benzoyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(difluoromethylthio)benzoyl]isonipecotic acid Formula: C14H15F2NO3S MolecularWeight: 315.335606

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C2=CC=CC=C2SC(F)F

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)C2=CC=CC=C2SC(F)F

InChI

InChI=1S/C14H15F2NO3S/c15-14(16)21-11-4-2-1-3-10(11)12(18)17-7-5-9(6-8-17)13(19)20/h1-4,9,14H,5-8H2,(H,19,20)