sodium 3-methylsulfonyl-4-(methylsulfonylamino)benzenesulfonate

Systemtic Name: sodium 3-methylsulfonyl-4-(methylsulfonylamino)benzenesulfonate Openeye Name: sodium 4-(methanesulfonamido)-3-methylsulfonyl-benzenesulfonate CAS Name: sodium 4-(methanesulfonamido)-3-methylsulfonylbenzenesulfonate IUPAC Name: sodium 4-(methanesulfonamido)-3-methylsulfonylbenzenesulfonate Traditional Name: sodium 3-mesyl-4-(methanesulfonamido)besylate Formula: C8H10NNaO7S3 MolecularWeight: 351.35227

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)S(=O)(=O)[O-])NS(=O)(=O)C.[Na+]

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)S(=O)(=O)[O-])NS(=O)(=O)C.[Na+]

InChI

InChI=1S/C8H11NO7S3.Na/c1-17(10,11)8-5-6(19(14,15)16)3-4-7(8)9-18(2,12)13;/h3-5,9H,1-2H3,(H,14,15,16);/q;+1/p-1