2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-1-ethyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-1-ethyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-1-ethyl-benzimidazole-5-sulfonamide CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-1-ethyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-1-ethylbenzimidazole-5-sulfonamide Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-1-ethyl-benzimidazole-5-sulfonamide Formula: C17H16BrN3O4S2 MolecularWeight: 470.36064

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C17H16BrN3O4S2/c1-2-21-14-4-3-11(27(19,22)23)6-13(14)20-17(21)26-8-10-5-15-16(7-12(10)18)25-9-24-15/h3-7H,2,8-9H2,1H3,(H2,19,22,23)