2-[5,6-bis(chloranyl)-1-(4-methylphenyl)sulfonyl-benzimidazol-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[5,6-bis(chloranyl)-1-(4-methylphenyl)sulfonyl-benzimidazol-2-yl]isoindole-1,3-dione Openeye Name: 2-[5,6-dichloro-1-(p-tolylsulfonyl)benzimidazol-2-yl]isoindoline-1,3-dione CAS Name: 2-[5,6-dichloro-1-(4-methylphenyl)sulfonyl-2-benzimidazolyl]isoindole-1,3-dione IUPAC Name: 2-[5,6-dichloro-1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]isoindole-1,3-dione Traditional Name: 2-(5,6-dichloro-1-tosyl-benzimidazol-2-yl)isoindoline-1,3-quinone Formula: C22H13Cl2N3O4S MolecularWeight: 486.32732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC(=C(C=C3N=C2N4C(=O)C5=CC=CC=C5C4=O)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC(=C(C=C3N=C2N4C(=O)C5=CC=CC=C5C4=O)Cl)Cl

InChI

InChI=1S/C22H13Cl2N3O4S/c1-12-6-8-13(9-7-12)32(30,31)27-19-11-17(24)16(23)10-18(19)25-22(27)26-20(28)14-4-2-3-5-15(14)21(26)29/h2-11H,1H3