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

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-benzimidazole-5-sulfonamide Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-1-ethyl-benzimidazole-5-sulfonamide CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-1-ethyl-5-benzimidazolesulfonamide IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-1-ethylbenzimidazole-5-sulfonamide Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-1-ethyl-benzimidazole-5-sulfonamide Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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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=CC=C4C3

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3S2/c1-2-24-18-8-7-16(29(21,26)27)11-17(18)22-20(24)28-13-19(25)23-10-9-14-5-3-4-6-15(14)12-23/h3-8,11H,2,9-10,12-13H2,1H3,(H2,21,26,27)