2-[3-(trifluoromethyl)phenyl]sulfanylethyl 4-(2-cyanoethylsulfamoyl)benzoate

Systemtic Name: 2-[3-(trifluoromethyl)phenyl]sulfanylethyl 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: 2-[3-(trifluoromethyl)phenyl]sulfanylethyl 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid 2-[[3-(trifluoromethyl)phenyl]thio]ethyl ester IUPAC Name: 2-[3-(trifluoromethyl)phenyl]sulfanylethyl 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid 2-[[3-(trifluoromethyl)phenyl]thio]ethyl ester Formula: C19H17F3N2O4S2 MolecularWeight: 458.47449

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SCCOC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)SCCOC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N)C(F)(F)F

InChI

InChI=1S/C19H17F3N2O4S2/c20-19(21,22)15-3-1-4-16(13-15)29-12-11-28-18(25)14-5-7-17(8-6-14)30(26,27)24-10-2-9-23/h1,3-8,13,24H,2,10-12H2