methyl 3-[4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-[4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidyl]sulfonyl]thiophene-2-carboxylate CAS Name: 3-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidino]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C18H18F3NO5S2 MolecularWeight: 449.46443

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCC(CC2)(C3=CC(=CC=C3)C(F)(F)F)O

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCC(CC2)(C3=CC(=CC=C3)C(F)(F)F)O

InChI

InChI=1S/C18H18F3NO5S2/c1-27-16(23)15-14(5-10-28-15)29(25,26)22-8-6-17(24,7-9-22)12-3-2-4-13(11-12)18(19,20)21/h2-5,10-11,24H,6-9H2,1H3