1-butyl-2-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(5-nitro-1,3-dioxo-isoindolin-2-yl)methyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[(5-nitro-1,3-dioxo-2-isoindolyl)methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(5-nitro-1,3-dioxoisoindol-2-yl)methyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[(1,3-diketo-5-nitro-isoindolin-2-yl)methyl]benzimidazole-5-sulfonamide Formula: C20H19N5O6S MolecularWeight: 457.45976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O6S/c1-2-3-8-23-17-7-5-13(32(21,30)31)10-16(17)22-18(23)11-24-19(26)14-6-4-12(25(28)29)9-15(14)20(24)27/h4-7,9-10H,2-3,8,11H2,1H3,(H2,21,30,31)