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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C2=CC=C(C=C2)S(=O)(=O)C(F)F

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C2=CC=C(C=C2)S(=O)(=O)C(F)F

InChI

InChI=1S/C13H15F2NO4S/c14-13(15)21(19,20)10-6-4-9(5-7-10)16-8-2-1-3-11(16)12(17)18/h4-7,11,13H,1-3,8H2,(H,17,18)