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

Systemtic Name: 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethylsulfanyl]-1-butyl-benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[2-(1,3-dioxoisoindolin-2-yl)ethylsulfanyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[2-(1,3-dioxo-2-isoindolyl)ethylthio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-(2-phthalimidoethylthio)benzimidazole-5-sulfonamide Formula: C21H22N4O4S2 MolecularWeight: 458.55378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H22N4O4S2/c1-2-3-10-24-18-9-8-14(31(22,28)29)13-17(18)23-21(24)30-12-11-25-19(26)15-6-4-5-7-16(15)20(25)27/h4-9,13H,2-3,10-12H2,1H3,(H2,22,28,29)