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

Systemtic Name: [(3E)-3-indol-2-ylidene-1,2-dihydroindazol-5-yl] 2-methylsulfonylbenzenesulfonate Openeye Name: [(3E)-3-indol-2-ylidene-1,2-dihydroindazol-5-yl] 2-methylsulfonylbenzenesulfonate CAS Name: 2-methylsulfonylbenzenesulfonic acid [(3E)-3-(2-indolylidene)-1,2-dihydroindazol-5-yl] ester IUPAC Name: [(3E)-3-indol-2-ylidene-1,2-dihydroindazol-5-yl] 2-methylsulfonylbenzenesulfonate Traditional Name: 2-mesylbenzenesulfonic acid [(3E)-3-indol-2-ylideneindazolin-5-yl] ester Formula: C22H17N3O5S2 MolecularWeight: 467.51748

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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=C4C=C5C=CC=CC5=N4

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1S(=O)(=O)OC2=CC\3=C(C=C2)NN/C3=C/4\C=C5C=CC=CC5=N4

InChI

InChI=1S/C22H17N3O5S2/c1-31(26,27)20-8-4-5-9-21(20)32(28,29)30-15-10-11-18-16(13-15)22(25-24-18)19-12-14-6-2-3-7-17(14)23-19/h2-13,24-25H,1H3/b22-19+