3-(dimethylsulfamoyl)-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]benzoic acid

Systemtic Name: 3-(dimethylsulfamoyl)-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]benzoic acid Openeye Name: 3-(dimethylsulfamoyl)-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]benzoic acid CAS Name: 3-(dimethylsulfamoyl)-4-[[3-(trifluoromethyl)phenyl]methylthio]benzoic acid IUPAC Name: 3-(dimethylsulfamoyl)-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]benzoic acid Traditional Name: 3-(dimethylsulfamoyl)-4-[[3-(trifluoromethyl)benzyl]thio]benzoic acid Formula: C17H16F3NO4S2 MolecularWeight: 419.43845

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)O)SCC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)O)SCC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C17H16F3NO4S2/c1-21(2)27(24,25)15-9-12(16(22)23)6-7-14(15)26-10-11-4-3-5-13(8-11)17(18,19)20/h3-9H,10H2,1-2H3,(H,22,23)