2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-ethyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-ethyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-ethyl-benzimidazole-5-sulfonamide CAS Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-1-ethyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-ethylbenzimidazole-5-sulfonamide Traditional Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-1-ethyl-benzimidazole-5-sulfonamide Formula: C18H18ClN3O4S2 MolecularWeight: 439.93622

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C18H18ClN3O4S2/c1-2-22-16-4-3-14(28(20,23)24)7-15(16)21-18(22)27-9-12-6-13(19)5-11-8-25-10-26-17(11)12/h3-7H,2,8-10H2,1H3,(H2,20,23,24)