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

Systemtic Name: 5-oxidanyl-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonyl-piperidine-2-carboxylic acid Openeye Name: 5-hydroxy-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonyl-piperidine-2-carboxylic acid CAS Name: 5-hydroxy-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonyl-2-piperidinecarboxylic acid IUPAC Name: 5-hydroxy-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid Traditional Name: 5-hydroxy-1-[4-[3-(trifluoromethyl)benzyl]oxyphenyl]sulfonyl-pipecolinic acid Formula: C20H20F3NO6S MolecularWeight: 459.43611

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(CC1O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC(=CC=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

C1CC(N(CC1O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC(=CC=C3)C(F)(F)F)C(=O)O

InChI

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