4-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylmethyl]oxane-4-carboxylic acid

Systemtic Name: 4-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylmethyl]oxane-4-carboxylic acid Openeye Name: 4-[[4-[3-(trifluoromethyl)phenoxy]-1-piperidyl]sulfonylmethyl]tetrahydropyran-4-carboxylic acid CAS Name: 4-[[4-[3-(trifluoromethyl)phenoxy]-1-piperidinyl]sulfonylmethyl]-4-oxanecarboxylic acid IUPAC Name: 4-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylmethyl]oxane-4-carboxylic acid Traditional Name: 4-[[4-[3-(trifluoromethyl)phenoxy]piperidino]sulfonylmethyl]tetrahydropyran-4-carboxylic acid Formula: C19H24F3NO6S MolecularWeight: 451.45717

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)CC3(CCOCC3)C(=O)O

Isomeric SMILES

C1CN(CCC1OC2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)CC3(CCOCC3)C(=O)O

InChI

InChI=1S/C19H24F3NO6S/c20-19(21,22)14-2-1-3-16(12-14)29-15-4-8-23(9-5-15)30(26,27)13-18(17(24)25)6-10-28-11-7-18/h1-3,12,15H,4-11,13H2,(H,24,25)