1-ethyl-2-[2-oxidanylidene-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethyl]sulfanyl-benzimidazole-5-sulfonamide

Systemtic Name: 1-ethyl-2-[2-oxidanylidene-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethyl]sulfanyl-benzimidazole-5-sulfonamide Openeye Name: 1-ethyl-2-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethyl]sulfanyl-benzimidazole-5-sulfonamide CAS Name: 1-ethyl-2-[[2-oxo-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]ethyl]thio]-5-benzimidazolesulfonamide IUPAC Name: 1-ethyl-2-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]ethyl]sulfanylbenzimidazole-5-sulfonamide Traditional Name: 1-ethyl-2-[[2-keto-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]ethyl]thio]benzimidazole-5-sulfonamide Formula: C21H31N6O4S2+ MolecularWeight: 495.63864

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C21H30N6O4S2/c1-2-27-18-6-5-16(33(22,30)31)13-17(18)23-21(27)32-15-20(29)26-11-9-24(10-12-26)14-19(28)25-7-3-4-8-25/h5-6,13H,2-4,7-12,14-15H2,1H3,(H2,22,30,31)/p+1