[3-(benzimidazol-2-ylidene)-1,2-dihydroindazol-5-yl] 2-methylsulfonylbenzenesulfonate

Systemtic Name: [3-(benzimidazol-2-ylidene)-1,2-dihydroindazol-5-yl] 2-methylsulfonylbenzenesulfonate Openeye Name: [3-(benzimidazol-2-ylidene)-1,2-dihydroindazol-5-yl] 2-methylsulfonylbenzenesulfonate CAS Name: 2-methylsulfonylbenzenesulfonic acid [3-(2-benzimidazolylidene)-1,2-dihydroindazol-5-yl] ester IUPAC Name: [3-(benzimidazol-2-ylidene)-1,2-dihydroindazol-5-yl] 2-methylsulfonylbenzenesulfonate Traditional Name: 2-mesylbenzenesulfonic acid [3-(benzimidazol-2-ylidene)indazolin-5-yl] ester Formula: C21H16N4O5S2 MolecularWeight: 468.50554

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1S(=O)(=O)OC2=CC3=C(C=C2)NNC3=C4N=C5C=CC=CC5=N4

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1S(=O)(=O)OC2=CC3=C(C=C2)NNC3=C4N=C5C=CC=CC5=N4

InChI

InChI=1S/C21H16N4O5S2/c1-31(26,27)18-8-4-5-9-19(18)32(28,29)30-13-10-11-15-14(12-13)20(25-24-15)21-22-16-6-2-3-7-17(16)23-21/h2-12,24-25H,1H3