3-(dibutylsulfamoyl)-5-[(4-methylphenyl)methylsulfanyl]benzoic acid

Systemtic Name: 3-(dibutylsulfamoyl)-5-[(4-methylphenyl)methylsulfanyl]benzoic acid Openeye Name: 3-(dibutylsulfamoyl)-5-(p-tolylmethylsulfanyl)benzoic acid CAS Name: 3-(dibutylsulfamoyl)-5-[(4-methylphenyl)methylthio]benzoic acid IUPAC Name: 3-(dibutylsulfamoyl)-5-[(4-methylphenyl)methylsulfanyl]benzoic acid Traditional Name: 3-(dibutylsulfamoyl)-5-[(4-methylbenzyl)thio]benzoic acid Formula: C23H31NO4S2 MolecularWeight: 449.62654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)S(=O)(=O)C1=CC(=CC(=C1)SCC2=CC=C(C=C2)C)C(=O)O

Isomeric SMILES

CCCCN(CCCC)S(=O)(=O)C1=CC(=CC(=C1)SCC2=CC=C(C=C2)C)C(=O)O

InChI

InChI=1S/C23H31NO4S2/c1-4-6-12-24(13-7-5-2)30(27,28)22-15-20(23(25)26)14-21(16-22)29-17-19-10-8-18(3)9-11-19/h8-11,14-16H,4-7,12-13,17H2,1-3H3,(H,25,26)