disodium 2-[3-methyl-5-(methylsulfonylamino)pyrazol-1-yl]-4-oxidanidylperoxysulfanyl-benzenesulfonate

Systemtic Name: disodium 2-[3-methyl-5-(methylsulfonylamino)pyrazol-1-yl]-4-oxidanidylperoxysulfanyl-benzenesulfonate Openeye Name: disodium 2-[5-(methanesulfonamido)-3-methyl-pyrazol-1-yl]-4-oxidoperoxysulfanyl-benzenesulfonate CAS Name: disodium 2-[5-(methanesulfonamido)-3-methyl-1-pyrazolyl]-4-(oxidodioxythio)benzenesulfonate IUPAC Name: disodium 2-[5-(methanesulfonamido)-3-methylpyrazol-1-yl]-4-oxidoperoxysulfanylbenzenesulfonate Traditional Name: disodium 2-[5-(methanesulfonamido)-3-methyl-pyrazol-1-yl]-4-(oxidoperoxythio)besylate Formula: C11H11N3Na2O8S3 MolecularWeight: 455.39488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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