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

Systemtic Name: 3-(diphenylsulfamoyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfinyl]benzoic acid Openeye Name: 3-(diphenylsulfamoyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfinyl]benzoic acid CAS Name: 3-(diphenylsulfamoyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfinyl]benzoic acid IUPAC Name: 3-(diphenylsulfamoyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfinyl]benzoic acid Traditional Name: 3-(diphenylsulfamoyl)-5-[3-(trifluoromethyl)benzyl]sulfinyl-benzoic acid Formula: C27H20F3NO5S2 MolecularWeight: 559.57661

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C2=CC=CC=C2)S(=O)(=O)C3=CC(=CC(=C3)S(=O)CC4=CC(=CC=C4)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)S(=O)(=O)C3=CC(=CC(=C3)S(=O)CC4=CC(=CC=C4)C(F)(F)F)C(=O)O

InChI

InChI=1S/C27H20F3NO5S2/c28-27(29,30)21-9-7-8-19(14-21)18-37(34)24-15-20(26(32)33)16-25(17-24)38(35,36)31(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-17H,18H2,(H,32,33)