sodium 5-[(2-methylsulfonylphenyl)sulfonylamino]-1H-indazole-3-carboxylate

Systemtic Name: sodium 5-[(2-methylsulfonylphenyl)sulfonylamino]-1H-indazole-3-carboxylate Openeye Name: sodium 5-[(2-methylsulfonylphenyl)sulfonylamino]-1H-indazole-3-carboxylate CAS Name: sodium 5-[(2-methylsulfonylphenyl)sulfonylamino]-1H-indazole-3-carboxylate IUPAC Name: sodium 5-[(2-methylsulfonylphenyl)sulfonylamino]-1H-indazole-3-carboxylate Traditional Name: sodium 5-[(2-mesylphenyl)sulfonylamino]-1H-indazole-3-carboxylate Formula: C15H12N3NaO6S2 MolecularWeight: 417.39205

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC2=CC3=C(C=C2)NN=C3C(=O)[O-].[Na+]

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC2=CC3=C(C=C2)NN=C3C(=O)[O-].[Na+]

InChI

InChI=1S/C15H13N3O6S2.Na/c1-25(21,22)12-4-2-3-5-13(12)26(23,24)18-9-6-7-11-10(8-9)14(15(19)20)17-16-11;/h2-8,18H,1H3,(H,16,17)(H,19,20);/q;+1/p-1