3-(dimethylsulfamoyl)-4-[[2-(trifluoromethylsulfonyl)phenyl]methylsulfanyl]benzoic acid

Systemtic Name: 3-(dimethylsulfamoyl)-4-[[2-(trifluoromethylsulfonyl)phenyl]methylsulfanyl]benzoic acid Openeye Name: 3-(dimethylsulfamoyl)-4-[[2-(trifluoromethylsulfonyl)phenyl]methylsulfanyl]benzoic acid CAS Name: 3-(dimethylsulfamoyl)-4-[[2-(trifluoromethylsulfonyl)phenyl]methylthio]benzoic acid IUPAC Name: 3-(dimethylsulfamoyl)-4-[[2-(trifluoromethylsulfonyl)phenyl]methylsulfanyl]benzoic acid Traditional Name: 3-(dimethylsulfamoyl)-4-[(2-triflylbenzyl)thio]benzoic acid Formula: C17H16F3NO6S3 MolecularWeight: 483.50225

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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=C2S(=O)(=O)C(F)(F)F

Isomeric SMILES

CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)O)SCC2=CC=CC=C2S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C17H16F3NO6S3/c1-21(2)30(26,27)15-9-11(16(22)23)7-8-13(15)28-10-12-5-3-4-6-14(12)29(24,25)17(18,19)20/h3-9H,10H2,1-2H3,(H,22,23)