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

Systemtic Name: 3-(dihexylsulfamoyl)-4-[(4-methylphenyl)methylsulfanyl]benzoic acid Openeye Name: 3-(dihexylsulfamoyl)-4-(p-tolylmethylsulfanyl)benzoic acid CAS Name: 3-(dihexylsulfamoyl)-4-[(4-methylphenyl)methylthio]benzoic acid IUPAC Name: 3-(dihexylsulfamoyl)-4-[(4-methylphenyl)methylsulfanyl]benzoic acid Traditional Name: 3-(dihexylsulfamoyl)-4-[(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=C(C=CC(=C1)C(=O)O)SCC2=CC=C(C=C2)C

Isomeric SMILES

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

InChI

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