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

Systemtic Name: 5-oxidanyl-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonyl-piperidine-2-carboxylic acid Openeye Name: 5-hydroxy-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonyl-piperidine-2-carboxylic acid CAS Name: 5-hydroxy-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonyl-2-piperidinecarboxylic acid IUPAC Name: 5-hydroxy-1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid Traditional Name: 5-hydroxy-1-[4-[4-(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=C(C=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

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

InChI

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