1-[2-[bis(fluoranyl)methylsulfonyl]phenyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[bis(fluoranyl)methylsulfonyl]phenyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(difluoromethylsulfonyl)phenyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(difluoromethylsulfonyl)phenyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(difluoromethylsulfonyl)phenyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(difluoromethylsulfonyl)phenyl]isonipecotic acid Formula: C13H15F2NO4S MolecularWeight: 319.324306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=CC=CC=C2S(=O)(=O)C(F)F

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=CC=CC=C2S(=O)(=O)C(F)F

InChI

InChI=1S/C13H15F2NO4S/c14-13(15)21(19,20)11-4-2-1-3-10(11)16-7-5-9(6-8-16)12(17)18/h1-4,9,13H,5-8H2,(H,17,18)