2-methyl-5-(2-methylsulfanylethylsulfamoyl)benzoic acid

Systemtic Name: 2-methyl-5-(2-methylsulfanylethylsulfamoyl)benzoic acid Openeye Name: 2-methyl-5-(2-methylsulfanylethylsulfamoyl)benzoic acid CAS Name: 2-methyl-5-[2-(methylthio)ethylsulfamoyl]benzoic acid IUPAC Name: 2-methyl-5-(2-methylsulfanylethylsulfamoyl)benzoic acid Traditional Name: 2-methyl-5-[2-(methylthio)ethylsulfamoyl]benzoic acid Formula: C11H15NO4S2 MolecularWeight: 289.3711

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15NO4S2/c1-8-3-4-9(7-10(8)11(13)14)18(15,16)12-5-6-17-2/h3-4,7,12H,5-6H2,1-2H3,(H,13,14)