1-[3-methyl-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonyl-4-oxidanyl-piperidine-2-carboxylic acid

Systemtic Name: 1-[3-methyl-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonyl-4-oxidanyl-piperidine-2-carboxylic acid Openeye Name: 4-hydroxy-1-[3-methyl-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonyl-piperidine-2-carboxylic acid CAS Name: 4-hydroxy-1-[3-methyl-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonyl-2-piperidinecarboxylic acid IUPAC Name: 4-hydroxy-1-[3-methyl-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid Traditional Name: 4-hydroxy-1-[3-methyl-4-[2-(trifluoromethyl)benzyl]oxy-phenyl]sulfonyl-pipecolinic acid Formula: C21H22F3NO6S MolecularWeight: 473.46269

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2C(=O)O)O)OCC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2C(=O)O)O)OCC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H22F3NO6S/c1-13-10-16(32(29,30)25-9-8-15(26)11-18(25)20(27)28)6-7-19(13)31-12-14-4-2-3-5-17(14)21(22,23)24/h2-7,10,15,18,26H,8-9,11-12H2,1H3,(H,27,28)