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

Systemtic Name: 1-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid Openeye Name: 1-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid CAS Name: 1-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-mesyl-2-(trifluoromethyl)phenyl]isonipecotic acid Formula: C14H16F3NO4S MolecularWeight: 351.34135

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCC(CC2)C(=O)O)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCC(CC2)C(=O)O)C(F)(F)F

InChI

InChI=1S/C14H16F3NO4S/c1-23(21,22)10-2-3-12(11(8-10)14(15,16)17)18-6-4-9(5-7-18)13(19)20/h2-3,8-9H,4-7H2,1H3,(H,19,20)