1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[4-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[4-(trifluoromethyl)phenyl]sulfonylisonipecotic acid Formula: C13H14F3NO4S MolecularWeight: 337.31477

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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