4-methylsulfanyl-2-sulfamoyl-benzoic acid

Systemtic Name: 4-methylsulfanyl-2-sulfamoyl-benzoic acid Openeye Name: 4-methylsulfanyl-2-sulfamoyl-benzoic acid CAS Name: 4-(methylthio)-2-sulfamoylbenzoic acid IUPAC Name: 4-methylsulfanyl-2-sulfamoylbenzoic acid Traditional Name: 4-(methylthio)-2-sulfamoyl-benzoic acid Formula: C8H9NO4S2 MolecularWeight: 247.29136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)C(=O)O)S(=O)(=O)N

Isomeric SMILES

CSC1=CC(=C(C=C1)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C8H9NO4S2/c1-14-5-2-3-6(8(10)11)7(4-5)15(9,12)13/h2-4H,1H3,(H,10,11)(H2,9,12,13)