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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 6-methyl-2-oxidanylidene-1,3-dihydrobenzimidazole-5-sulfonate Openeye Name: 2-(1,3-dioxoisoindolin-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-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-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-phthalimidoethyl ester Formula: C18H15N3O6S MolecularWeight: 401.3932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1S(=O)(=O)OCCN3C(=O)C4=CC=CC=C4C3=O)NC(=O)N2

Isomeric SMILES

CC1=CC2=C(C=C1S(=O)(=O)OCCN3C(=O)C4=CC=CC=C4C3=O)NC(=O)N2

InChI

InChI=1S/C18H15N3O6S/c1-10-8-13-14(20-18(24)19-13)9-15(10)28(25,26)27-7-6-21-16(22)11-4-2-3-5-12(11)17(21)23/h2-5,8-9H,6-7H2,1H3,(H2,19,20,24)