methyl 4-[4-[4-(trifluoromethyl)phenyl]sulfanylpiperidin-1-yl]sulfonyloxane-4-carboxylate

Systemtic Name: methyl 4-[4-[4-(trifluoromethyl)phenyl]sulfanylpiperidin-1-yl]sulfonyloxane-4-carboxylate Openeye Name: methyl 4-[[4-[4-(trifluoromethyl)phenyl]sulfanyl-1-piperidyl]sulfonyl]tetrahydropyran-4-carboxylate CAS Name: 4-[[4-[[4-(trifluoromethyl)phenyl]thio]-1-piperidinyl]sulfonyl]-4-oxanecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[4-(trifluoromethyl)phenyl]sulfanylpiperidin-1-yl]sulfonyloxane-4-carboxylate Traditional Name: 4-[4-[[4-(trifluoromethyl)phenyl]thio]piperidino]sulfonyltetrahydropyran-4-carboxylic acid methyl ester Formula: C19H24F3NO5S2 MolecularWeight: 467.52277

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCOCC1)S(=O)(=O)N2CCC(CC2)SC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1(CCOCC1)S(=O)(=O)N2CCC(CC2)SC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H24F3NO5S2/c1-27-17(24)18(8-12-28-13-9-18)30(25,26)23-10-6-16(7-11-23)29-15-4-2-14(3-5-15)19(20,21)22/h2-5,16H,6-13H2,1H3