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

Systemtic Name: 2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylthio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[(5-ethoxy-2-methyl-coumaran-6-yl)methylthio]-1-propyl-benzimidazole-5-sulfonamide Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=C(C=C4CC(OC4=C3)C)OCC

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=C(C=C4CC(OC4=C3)C)OCC

InChI

InChI=1S/C22H27N3O4S2/c1-4-8-25-19-7-6-17(31(23,26)27)12-18(19)24-22(25)30-13-16-11-21-15(9-14(3)29-21)10-20(16)28-5-2/h6-7,10-12,14H,4-5,8-9,13H2,1-3H3,(H2,23,26,27)