2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-benzimidazole-5-sulfonamide Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanyl-1-ethyl-benzimidazole-5-sulfonamide CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-1-ethyl-5-benzimidazolesulfonamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-1-ethylbenzimidazole-5-sulfonamide Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]-1-ethyl-benzimidazole-5-sulfonamide Formula: C18H17N3O5S2 MolecularWeight: 419.47468

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H17N3O5S2/c1-2-21-14-5-4-12(28(19,23)24)8-13(14)20-18(21)27-9-15(22)11-3-6-16-17(7-11)26-10-25-16/h3-8H,2,9-10H2,1H3,(H2,19,23,24)