methyl 3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[[(3S)-3-(trifluoromethyl)-1-piperidyl]sulfonyl]thiophene-2-carboxylate CAS Name: 3-[[(3S)-3-(trifluoromethyl)-1-piperidinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[(3S)-3-(trifluoromethyl)piperidino]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C12H14F3NO4S2 MolecularWeight: 357.36907

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCCC(C2)C(F)(F)F

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCC[C@@H](C2)C(F)(F)F

InChI

InChI=1S/C12H14F3NO4S2/c1-20-11(17)10-9(4-6-21-10)22(18,19)16-5-2-3-8(7-16)12(13,14)15/h4,6,8H,2-3,5,7H2,1H3/t8-/m0/s1