5-(dibutylsulfamoyl)-2-[(3-methylphenyl)methylsulfanyl]benzoic acid

Systemtic Name: 5-(dibutylsulfamoyl)-2-[(3-methylphenyl)methylsulfanyl]benzoic acid Openeye Name: 5-(dibutylsulfamoyl)-2-(m-tolylmethylsulfanyl)benzoic acid CAS Name: 5-(dibutylsulfamoyl)-2-[(3-methylphenyl)methylthio]benzoic acid IUPAC Name: 5-(dibutylsulfamoyl)-2-[(3-methylphenyl)methylsulfanyl]benzoic acid Traditional Name: 5-(dibutylsulfamoyl)-2-[(3-methylbenzyl)thio]benzoic acid Formula: C23H31NO4S2 MolecularWeight: 449.62654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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