1-[4-[bis(fluoranyl)methylsulfonyl]phenyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[4-[bis(fluoranyl)methylsulfonyl]phenyl]piperidine-3-carboxylic acid Openeye Name: 1-[4-(difluoromethylsulfonyl)phenyl]piperidine-3-carboxylic acid CAS Name: 1-[4-(difluoromethylsulfonyl)phenyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[4-(difluoromethylsulfonyl)phenyl]piperidine-3-carboxylic acid Traditional Name: 1-[4-(difluoromethylsulfonyl)phenyl]nipecotic acid Formula: C13H15F2NO4S MolecularWeight: 319.324306

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=CC=C(C=C2)S(=O)(=O)C(F)F)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C2=CC=C(C=C2)S(=O)(=O)C(F)F)C(=O)O

InChI

InChI=1S/C13H15F2NO4S/c14-13(15)21(19,20)11-5-3-10(4-6-11)16-7-1-2-9(8-16)12(17)18/h3-6,9,13H,1-2,7-8H2,(H,17,18)