1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid Openeye Name: 1-(p-tolylsulfonyl)-4-[3-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid CAS Name: 1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid Traditional Name: 1-tosyl-4-[3-(trifluoromethyl)phenyl]isonipecotic acid Formula: C20H20F3NO4S MolecularWeight: 427.43731

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(C3=CC(=CC=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(C3=CC(=CC=C3)C(F)(F)F)C(=O)O

InChI

InChI=1S/C20H20F3NO4S/c1-14-5-7-17(8-6-14)29(27,28)24-11-9-19(10-12-24,18(25)26)15-3-2-4-16(13-15)20(21,22)23/h2-8,13H,9-12H2,1H3,(H,25,26)