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

Systemtic Name: 4-oxidanyl-1-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonyl-piperidine-2-carboxylic acid Openeye Name: 4-hydroxy-1-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonyl-piperidine-2-carboxylic acid CAS Name: 4-hydroxy-1-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonyl-2-piperidinecarboxylic acid IUPAC Name: 4-hydroxy-1-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid Traditional Name: 4-hydroxy-1-[4-[2-(trifluoromethyl)benzyl]oxyphenyl]sulfonyl-pipecolinic acid Formula: C20H20F3NO6S MolecularWeight: 459.43611

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC1O)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CN(C(CC1O)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C20H20F3NO6S/c21-20(22,23)17-4-2-1-3-13(17)12-30-15-5-7-16(8-6-15)31(28,29)24-10-9-14(25)11-18(24)19(26)27/h1-8,14,18,25H,9-12H2,(H,26,27)