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

Systemtic Name: 2-[[1,3-bis(oxidanylidene)isoindol-2-yl]methylsulfanyl]-1-butyl-benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(1,3-dioxoisoindolin-2-yl)methylsulfanyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[(1,3-dioxo-2-isoindolyl)methylthio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-(phthalimidomethylthio)benzimidazole-5-sulfonamide Formula: C20H20N4O4S2 MolecularWeight: 444.5272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H20N4O4S2/c1-2-3-10-23-17-9-8-13(30(21,27)28)11-16(17)22-20(23)29-12-24-18(25)14-6-4-5-7-15(14)19(24)26/h4-9,11H,2-3,10,12H2,1H3,(H2,21,27,28)