2-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]-1-ethyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]-1-ethyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(4-bromo-2,5-dimethoxy-phenyl)methylsulfanyl]-1-ethyl-benzimidazole-5-sulfonamide CAS Name: 2-[(4-bromo-2,5-dimethoxyphenyl)methylthio]-1-ethyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]-1-ethylbenzimidazole-5-sulfonamide Traditional Name: 2-[(4-bromo-2,5-dimethoxy-benzyl)thio]-1-ethyl-benzimidazole-5-sulfonamide Formula: C18H20BrN3O4S2 MolecularWeight: 486.4031

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CC(=C(C=C3OC)Br)OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CC(=C(C=C3OC)Br)OC

InChI

InChI=1S/C18H20BrN3O4S2/c1-4-22-15-6-5-12(28(20,23)24)8-14(15)21-18(22)27-10-11-7-17(26-3)13(19)9-16(11)25-2/h5-9H,4,10H2,1-3H3,(H2,20,23,24)