2-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl 6-methyl-2-oxidanylidene-1,3-dihydrobenzimidazole-5-sulfonate

Systemtic Name: 2-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl 6-methyl-2-oxidanylidene-1,3-dihydrobenzimidazole-5-sulfonate Openeye Name: 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl 6-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonate CAS Name: 6-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonic acid 2-(1,3-dioxo-2-benzo[de]isoquinolinyl)ethyl ester IUPAC Name: 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl 6-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonate Traditional Name: 2-keto-6-methyl-1,3-dihydrobenzimidazole-5-sulfonic acid 2-(1,3-diketobenzo[de]isoquinolin-2-yl)ethyl ester Formula: C22H17N3O6S MolecularWeight: 451.45188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1S(=O)(=O)OCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)NC(=O)N2

Isomeric SMILES

CC1=CC2=C(C=C1S(=O)(=O)OCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)NC(=O)N2

InChI

InChI=1S/C22H17N3O6S/c1-12-10-16-17(24-22(28)23-16)11-18(12)32(29,30)31-9-8-25-20(26)14-6-2-4-13-5-3-7-15(19(13)14)21(25)27/h2-7,10-11H,8-9H2,1H3,(H2,23,24,28)