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

Systemtic Name: 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propylsulfanyl]-1-ethyl-benzimidazole-5-sulfonamide Openeye Name: 2-[3-(1,3-dioxoisoindolin-2-yl)propylsulfanyl]-1-ethyl-benzimidazole-5-sulfonamide CAS Name: 2-[3-(1,3-dioxo-2-isoindolyl)propylthio]-1-ethyl-5-benzimidazolesulfonamide IUPAC Name: 2-[3-(1,3-dioxoisoindol-2-yl)propylsulfanyl]-1-ethylbenzimidazole-5-sulfonamide Traditional Name: 1-ethyl-2-(3-phthalimidopropylthio)benzimidazole-5-sulfonamide Formula: C20H20N4O4S2 MolecularWeight: 444.5272

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H20N4O4S2/c1-2-23-17-9-8-13(30(21,27)28)12-16(17)22-20(23)29-11-5-10-24-18(25)14-6-3-4-7-15(14)19(24)26/h3-4,6-9,12H,2,5,10-11H2,1H3,(H2,21,27,28)