dipotassium 2-[3-methyl-5-(methylsulfonylamino)pyrazol-1-yl]-4-sulfinatooxy-benzenesulfonate

Systemtic Name: dipotassium 2-[3-methyl-5-(methylsulfonylamino)pyrazol-1-yl]-4-sulfinatooxy-benzenesulfonate Openeye Name: dipotassium 2-[5-(methanesulfonamido)-3-methyl-pyrazol-1-yl]-4-sulfinatooxy-benzenesulfonate CAS Name: dipotassium 2-[5-(methanesulfonamido)-3-methyl-1-pyrazolyl]-4-sulfinatooxybenzenesulfonate IUPAC Name: dipotassium 2-[5-(methanesulfonamido)-3-methylpyrazol-1-yl]-4-sulfinatooxybenzenesulfonate Traditional Name: dipotassium 2-[5-(methanesulfonamido)-3-methyl-pyrazol-1-yl]-4-sulfito-besylate Formula: C11H11K2N3O8S3 MolecularWeight: 487.61194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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