3,4-dimethyl-5-(2-methylsulfanylethylsulfamoyl)benzoic acid

Systemtic Name: 3,4-dimethyl-5-(2-methylsulfanylethylsulfamoyl)benzoic acid Openeye Name: 3,4-dimethyl-5-(2-methylsulfanylethylsulfamoyl)benzoic acid CAS Name: 3,4-dimethyl-5-[2-(methylthio)ethylsulfamoyl]benzoic acid IUPAC Name: 3,4-dimethyl-5-(2-methylsulfanylethylsulfamoyl)benzoic acid Traditional Name: 3,4-dimethyl-5-[2-(methylthio)ethylsulfamoyl]benzoic acid Formula: C12H17NO4S2 MolecularWeight: 303.39768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NCCSC)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NCCSC)C

InChI

InChI=1S/C12H17NO4S2/c1-8-6-10(12(14)15)7-11(9(8)2)19(16,17)13-4-5-18-3/h6-7,13H,4-5H2,1-3H3,(H,14,15)