methyl 5-[4-[2-(trifluoromethylsulfanyl)phenyl]carbonylpiperazin-1-yl]sulfonylthiophene-3-carboxylate

Systemtic Name: methyl 5-[4-[2-(trifluoromethylsulfanyl)phenyl]carbonylpiperazin-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-[2-(trifluoromethylsulfanyl)benzoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[oxo-[2-(trifluoromethylthio)phenyl]methyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-[2-(trifluoromethylsulfanyl)benzoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-[2-(trifluoromethylthio)benzoyl]piperazino]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C18H17F3N2O5S3 MolecularWeight: 494.52819

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3SC(F)(F)F

Isomeric SMILES

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3SC(F)(F)F

InChI

InChI=1S/C18H17F3N2O5S3/c1-28-17(25)12-10-15(29-11-12)31(26,27)23-8-6-22(7-9-23)16(24)13-4-2-3-5-14(13)30-18(19,20)21/h2-5,10-11H,6-9H2,1H3