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

Systemtic Name: methyl 3-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]sulfonylthiophene-2-carboxylate CAS Name: 3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[4-[3-(trifluoromethyl)benzyl]piperazino]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C18H19F3N2O4S2 MolecularWeight: 448.47967

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C18H19F3N2O4S2/c1-27-17(24)16-15(5-10-28-16)29(25,26)23-8-6-22(7-9-23)12-13-3-2-4-14(11-13)18(19,20)21/h2-5,10-11H,6-9,12H2,1H3