3-[bis(phenylmethyl)sulfamoyl]-5-(phenylmethylsulfanyl)benzoic acid

Systemtic Name: 3-[bis(phenylmethyl)sulfamoyl]-5-(phenylmethylsulfanyl)benzoic acid Openeye Name: 3-benzylsulfanyl-5-(dibenzylsulfamoyl)benzoic acid CAS Name: 3-[bis(phenylmethyl)sulfamoyl]-5-(phenylmethylthio)benzoic acid IUPAC Name: 3-benzylsulfanyl-5-(dibenzylsulfamoyl)benzoic acid Traditional Name: 3-(benzylthio)-5-(dibenzylsulfamoyl)benzoic acid Formula: C28H25NO4S2 MolecularWeight: 503.6324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC(=CC(=C3)SCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC(=CC(=C3)SCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H25NO4S2/c30-28(31)25-16-26(34-21-24-14-8-3-9-15-24)18-27(17-25)35(32,33)29(19-22-10-4-1-5-11-22)20-23-12-6-2-7-13-23/h1-18H,19-21H2,(H,30,31)