2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-1-ethyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-1-ethyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylsulfanyl]-1-ethyl-benzimidazole-5-sulfonamide CAS Name: 2-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylthio]-1-ethyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-1-ethylbenzimidazole-5-sulfonamide Traditional Name: 2-[(5-ethoxy-2-methyl-coumaran-6-yl)methylthio]-1-ethyl-benzimidazole-5-sulfonamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=C(C=C4CC(OC4=C3)C)OCC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=C(C=C4CC(OC4=C3)C)OCC

InChI

InChI=1S/C21H25N3O4S2/c1-4-24-18-7-6-16(30(22,25)26)11-17(18)23-21(24)29-12-15-10-20-14(8-13(3)28-20)9-19(15)27-5-2/h6-7,9-11,13H,4-5,8,12H2,1-3H3,(H2,22,25,26)