3-(dimethylsulfamoyl)-5-[[2-(trifluoromethyl)phenyl]methylsulfinyl]benzoic acid

Systemtic Name: 3-(dimethylsulfamoyl)-5-[[2-(trifluoromethyl)phenyl]methylsulfinyl]benzoic acid Openeye Name: 3-(dimethylsulfamoyl)-5-[[2-(trifluoromethyl)phenyl]methylsulfinyl]benzoic acid CAS Name: 3-(dimethylsulfamoyl)-5-[[2-(trifluoromethyl)phenyl]methylsulfinyl]benzoic acid IUPAC Name: 3-(dimethylsulfamoyl)-5-[[2-(trifluoromethyl)phenyl]methylsulfinyl]benzoic acid Traditional Name: 3-(dimethylsulfamoyl)-5-[2-(trifluoromethyl)benzyl]sulfinyl-benzoic acid Formula: C17H16F3NO5S2 MolecularWeight: 435.43785

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=CC(=C1)S(=O)CC2=CC=CC=C2C(F)(F)F)C(=O)O

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=CC(=C1)S(=O)CC2=CC=CC=C2C(F)(F)F)C(=O)O

InChI

InChI=1S/C17H16F3NO5S2/c1-21(2)28(25,26)14-8-12(16(22)23)7-13(9-14)27(24)10-11-5-3-4-6-15(11)17(18,19)20/h3-9H,10H2,1-2H3,(H,22,23)