2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1-ethyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1-ethyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1-ethyl-benzimidazole-5-sulfonamide CAS Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-1-ethyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1-ethylbenzimidazole-5-sulfonamide Traditional Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-1-ethyl-benzimidazole-5-sulfonamide Formula: C18H18BrN3O4S2 MolecularWeight: 484.38722

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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)OCCO4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C18H18BrN3O4S2/c1-2-22-15-4-3-12(28(20,23)24)8-14(15)21-18(22)27-10-11-7-16-17(9-13(11)19)26-6-5-25-16/h3-4,7-9H,2,5-6,10H2,1H3,(H2,20,23,24)