(2-methylsulfonylphenyl) 3-benzamido-1H-indazole-5-sulfonate

Systemtic Name: (2-methylsulfonylphenyl) 3-benzamido-1H-indazole-5-sulfonate Openeye Name: (2-methylsulfonylphenyl) 3-benzamido-1H-indazole-5-sulfonate CAS Name: 3-benzamido-1H-indazole-5-sulfonic acid (2-methylsulfonylphenyl) ester IUPAC Name: (2-methylsulfonylphenyl) 3-benzamido-1H-indazole-5-sulfonate Traditional Name: 3-benzamido-1H-indazole-5-sulfonic acid (2-mesylphenyl) ester Formula: C21H17N3O6S2 MolecularWeight: 471.50618

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1OS(=O)(=O)C2=CC3=C(C=C2)NN=C3NC(=O)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1OS(=O)(=O)C2=CC3=C(C=C2)NN=C3NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O6S2/c1-31(26,27)19-10-6-5-9-18(19)30-32(28,29)15-11-12-17-16(13-15)20(24-23-17)22-21(25)14-7-3-2-4-8-14/h2-13H,1H3,(H2,22,23,24,25)