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

Systemtic Name: methyl 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylthiophene-2-carboxylate CAS Name: 3-[[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[4-[3-(trifluoromethyl)phenyl]piperazino]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C17H17F3N2O4S2 MolecularWeight: 434.45309

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17F3N2O4S2/c1-26-16(23)15-14(5-10-27-15)28(24,25)22-8-6-21(7-9-22)13-4-2-3-12(11-13)17(18,19)20/h2-5,10-11H,6-9H2,1H3