5-(dibutylsulfamoyl)-2-methylsulfanyl-benzoic acid

Systemtic Name: 5-(dibutylsulfamoyl)-2-methylsulfanyl-benzoic acid Openeye Name: 5-(dibutylsulfamoyl)-2-methylsulfanyl-benzoic acid CAS Name: 5-(dibutylsulfamoyl)-2-(methylthio)benzoic acid IUPAC Name: 5-(dibutylsulfamoyl)-2-methylsulfanylbenzoic acid Traditional Name: 5-(dibutylsulfamoyl)-2-(methylthio)benzoic acid Formula: C16H25NO4S2 MolecularWeight: 359.504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)S(=O)(=O)C1=CC(=C(C=C1)SC)C(=O)O

Isomeric SMILES

CCCCN(CCCC)S(=O)(=O)C1=CC(=C(C=C1)SC)C(=O)O

InChI

InChI=1S/C16H25NO4S2/c1-4-6-10-17(11-7-5-2)23(20,21)13-8-9-15(22-3)14(12-13)16(18)19/h8-9,12H,4-7,10-11H2,1-3H3,(H,18,19)