sodium 2,5-bis(chloranyl)-4-[3-methyl-5-(methylsulfonylamino)pyrazol-1-yl]benzenesulfonate

Systemtic Name: sodium 2,5-bis(chloranyl)-4-[3-methyl-5-(methylsulfonylamino)pyrazol-1-yl]benzenesulfonate Openeye Name: sodium 2,5-dichloro-4-[5-(methanesulfonamido)-3-methyl-pyrazol-1-yl]benzenesulfonate CAS Name: sodium 2,5-dichloro-4-[5-(methanesulfonamido)-3-methyl-1-pyrazolyl]benzenesulfonate IUPAC Name: sodium 2,5-dichloro-4-[5-(methanesulfonamido)-3-methylpyrazol-1-yl]benzenesulfonate Traditional Name: sodium 2,5-dichloro-4-[5-(methanesulfonamido)-3-methyl-pyrazol-1-yl]besylate Formula: C11H10Cl2N3NaO5S2 MolecularWeight: 422.23997

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NS(=O)(=O)C)C2=CC(=C(C=C2Cl)S(=O)(=O)[O-])Cl.[Na+]

Isomeric SMILES

CC1=NN(C(=C1)NS(=O)(=O)C)C2=CC(=C(C=C2Cl)S(=O)(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C11H11Cl2N3O5S2.Na/c1-6-3-11(15-22(2,17)18)16(14-6)9-4-8(13)10(5-7(9)12)23(19,20)21;/h3-5,15H,1-2H3,(H,19,20,21);/q;+1/p-1