4-[4-[[4-(trifluoromethyl)phenyl]methoxymethyl]piperidin-1-yl]sulfonyloxane-4-carboxylic acid

Systemtic Name: 4-[4-[[4-(trifluoromethyl)phenyl]methoxymethyl]piperidin-1-yl]sulfonyloxane-4-carboxylic acid Openeye Name: 4-[[4-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1-piperidyl]sulfonyl]tetrahydropyran-4-carboxylic acid CAS Name: 4-[[4-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1-piperidinyl]sulfonyl]-4-oxanecarboxylic acid IUPAC Name: 4-[4-[[4-(trifluoromethyl)phenyl]methoxymethyl]piperidin-1-yl]sulfonyloxane-4-carboxylic acid Traditional Name: 4-[4-[[4-(trifluoromethyl)benzyl]oxymethyl]piperidino]sulfonyltetrahydropyran-4-carboxylic acid Formula: C20H26F3NO6S MolecularWeight: 465.48375

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1COCC2=CC=C(C=C2)C(F)(F)F)S(=O)(=O)C3(CCOCC3)C(=O)O

Isomeric SMILES

C1CN(CCC1COCC2=CC=C(C=C2)C(F)(F)F)S(=O)(=O)C3(CCOCC3)C(=O)O

InChI

InChI=1S/C20H26F3NO6S/c21-20(22,23)17-3-1-15(2-4-17)13-30-14-16-5-9-24(10-6-16)31(27,28)19(18(25)26)7-11-29-12-8-19/h1-4,16H,5-14H2,(H,25,26)