methyl 2-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethylsulfamoyl]benzoate

Systemtic Name: methyl 2-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethylsulfamoyl]benzoate Openeye Name: methyl 2-[2-[[2-(trifluoromethyl)-4-quinolyl]sulfanyl]ethylsulfamoyl]benzoate CAS Name: 2-[2-[[2-(trifluoromethyl)-4-quinolinyl]thio]ethylsulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethylsulfamoyl]benzoate Traditional Name: 2-[2-[[2-(trifluoromethyl)-4-quinolyl]thio]ethylsulfamoyl]benzoic acid methyl ester Formula: C20H17F3N2O4S2 MolecularWeight: 470.48519

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)NCCSC2=CC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)NCCSC2=CC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C20H17F3N2O4S2/c1-29-19(26)14-7-3-5-9-17(14)31(27,28)24-10-11-30-16-12-18(20(21,22)23)25-15-8-4-2-6-13(15)16/h2-9,12,24H,10-11H2,1H3