disodium 3-[3-methyl-5-(methylsulfonylamino)pyrazol-1-yl]-5-oxidanidylperoxysulfanyl-benzenesulfonate

Systemtic Name: disodium 3-[3-methyl-5-(methylsulfonylamino)pyrazol-1-yl]-5-oxidanidylperoxysulfanyl-benzenesulfonate Openeye Name: disodium 3-[5-(methanesulfonamido)-3-methyl-pyrazol-1-yl]-5-oxidoperoxysulfanyl-benzenesulfonate CAS Name: disodium 3-[5-(methanesulfonamido)-3-methyl-1-pyrazolyl]-5-(oxidodioxythio)benzenesulfonate IUPAC Name: disodium 3-[5-(methanesulfonamido)-3-methylpyrazol-1-yl]-5-oxidoperoxysulfanylbenzenesulfonate Traditional Name: disodium 3-[5-(methanesulfonamido)-3-methyl-pyrazol-1-yl]-5-(oxidoperoxythio)besylate Formula: C11H11N3Na2O8S3 MolecularWeight: 455.39488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NS(=O)(=O)C)C2=CC(=CC(=C2)S(=O)(=O)[O-])SOO[O-].[Na+].[Na+]

Isomeric SMILES

CC1=NN(C(=C1)NS(=O)(=O)C)C2=CC(=CC(=C2)S(=O)(=O)[O-])SOO[O-].[Na+].[Na+]

InChI

InChI=1S/C11H13N3O8S3.2Na/c1-7-3-11(13-24(2,16)17)14(12-7)8-4-9(23-22-21-15)6-10(5-8)25(18,19)20;;/h3-6,13,15H,1-2H3,(H,18,19,20);;/q;2*+1/p-2