2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-benzimidazole-5-sulfonamide Openeye Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-1-ethyl-benzimidazole-5-sulfonamide CAS Name: 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-1-ethyl-5-benzimidazolesulfonamide IUPAC Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-1-ethylbenzimidazole-5-sulfonamide Traditional Name: 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-1-ethyl-benzimidazole-5-sulfonamide Formula: C22H26N4O5S2 MolecularWeight: 490.59564

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C22H26N4O5S2/c1-4-26-18-6-5-16(33(23,28)29)11-17(18)24-22(26)32-13-21(27)25-8-7-14-9-19(30-2)20(31-3)10-15(14)12-25/h5-6,9-11H,4,7-8,12-13H2,1-3H3,(H2,23,28,29)