1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxylic acid

Systemtic Name: 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxylic acid Openeye Name: 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxylic acid CAS Name: 1-[2-(trifluoromethyl)phenyl]sulfonyl-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxylic acid Traditional Name: 1-[2-(trifluoromethyl)phenyl]sulfonylnipecotic acid Formula: C13H14F3NO4S MolecularWeight: 337.31477

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C(=O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C(=O)O

InChI

InChI=1S/C13H14F3NO4S/c14-13(15,16)10-5-1-2-6-11(10)22(20,21)17-7-3-4-9(8-17)12(18)19/h1-2,5-6,9H,3-4,7-8H2,(H,18,19)