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

Systemtic Name: 3-(dihexylsulfamoyl)-5-[(4-methylphenyl)methylsulfanyl]benzoic acid Openeye Name: 3-(dihexylsulfamoyl)-5-(p-tolylmethylsulfanyl)benzoic acid CAS Name: 3-(dihexylsulfamoyl)-5-[(4-methylphenyl)methylthio]benzoic acid IUPAC Name: 3-(dihexylsulfamoyl)-5-[(4-methylphenyl)methylsulfanyl]benzoic acid Traditional Name: 3-(dihexylsulfamoyl)-5-[(4-methylbenzyl)thio]benzoic acid Formula: C27H39NO4S2 MolecularWeight: 505.73286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)S(=O)(=O)C1=CC(=CC(=C1)SCC2=CC=C(C=C2)C)C(=O)O

Isomeric SMILES

CCCCCCN(CCCCCC)S(=O)(=O)C1=CC(=CC(=C1)SCC2=CC=C(C=C2)C)C(=O)O

InChI

InChI=1S/C27H39NO4S2/c1-4-6-8-10-16-28(17-11-9-7-5-2)34(31,32)26-19-24(27(29)30)18-25(20-26)33-21-23-14-12-22(3)13-15-23/h12-15,18-20H,4-11,16-17,21H2,1-3H3,(H,29,30)