4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylthiane-4-carboxylic acid

Systemtic Name: 4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylthiane-4-carboxylic acid Openeye Name: 4-[[4-[4-(trifluoromethyl)phenoxy]-1-piperidyl]sulfonyl]tetrahydrothiopyran-4-carboxylic acid CAS Name: 4-[[4-[4-(trifluoromethyl)phenoxy]-1-piperidinyl]sulfonyl]-4-thianecarboxylic acid IUPAC Name: 4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylthiane-4-carboxylic acid Traditional Name: 4-[4-[4-(trifluoromethyl)phenoxy]piperidino]sulfonyltetrahydrothiopyran-4-carboxylic acid Formula: C18H22F3NO5S2 MolecularWeight: 453.49619

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC=C(C=C2)C(F)(F)F)S(=O)(=O)C3(CCSCC3)C(=O)O

Isomeric SMILES

C1CN(CCC1OC2=CC=C(C=C2)C(F)(F)F)S(=O)(=O)C3(CCSCC3)C(=O)O

InChI

InChI=1S/C18H22F3NO5S2/c19-18(20,21)13-1-3-14(4-2-13)27-15-5-9-22(10-6-15)29(25,26)17(16(23)24)7-11-28-12-8-17/h1-4,15H,5-12H2,(H,23,24)