2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[4-(1,3-dioxoisoindolin-2-yl)butylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[4-(1,3-dioxo-2-isoindolyl)butylthio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[4-(1,3-dioxoisoindol-2-yl)butylsulfanyl]-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-(4-phthalimidobutylthio)-1-propyl-benzimidazole-5-sulfonamide Formula: C22H24N4O4S2 MolecularWeight: 472.58036

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H24N4O4S2/c1-2-11-25-19-10-9-15(32(23,29)30)14-18(19)24-22(25)31-13-6-5-12-26-20(27)16-7-3-4-8-17(16)21(26)28/h3-4,7-10,14H,2,5-6,11-13H2,1H3,(H2,23,29,30)