3,5-dimethyl-4-(methylsulfonylamino)benzenesulfonic acid

Systemtic Name: 3,5-dimethyl-4-(methylsulfonylamino)benzenesulfonic acid Openeye Name: 4-(methanesulfonamido)-3,5-dimethyl-benzenesulfonic acid CAS Name: 4-(methanesulfonamido)-3,5-dimethylbenzenesulfonic acid IUPAC Name: 4-(methanesulfonamido)-3,5-dimethylbenzenesulfonic acid Traditional Name: 4-(methanesulfonamido)-3,5-dimethyl-besylic acid Formula: C9H13NO5S2 MolecularWeight: 279.33322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NS(=O)(=O)C)C)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1NS(=O)(=O)C)C)S(=O)(=O)O

InChI

InChI=1S/C9H13NO5S2/c1-6-4-8(17(13,14)15)5-7(2)9(6)10-16(3,11)12/h4-5,10H,1-3H3,(H,13,14,15)