3-[bis(phenylmethyl)sulfamoyl]-4-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzoic acid

Systemtic Name: 3-[bis(phenylmethyl)sulfamoyl]-4-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzoic acid Openeye Name: 3-(dibenzylsulfamoyl)-4-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzoic acid CAS Name: 3-[bis(phenylmethyl)sulfamoyl]-4-[[2-(trifluoromethyl)phenyl]methylthio]benzoic acid IUPAC Name: 3-(dibenzylsulfamoyl)-4-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzoic acid Traditional Name: 3-(dibenzylsulfamoyl)-4-[[2-(trifluoromethyl)benzyl]thio]benzoic acid Formula: C29H24F3NO4S2 MolecularWeight: 571.63037

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)SCC4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)SCC4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C29H24F3NO4S2/c30-29(31,32)25-14-8-7-13-24(25)20-38-26-16-15-23(28(34)35)17-27(26)39(36,37)33(18-21-9-3-1-4-10-21)19-22-11-5-2-6-12-22/h1-17H,18-20H2,(H,34,35)