2-(2-cyanoethylsulfanyl)-1-(2-ethoxyphenyl)-N,N-diethyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-(2-cyanoethylsulfanyl)-1-(2-ethoxyphenyl)-N,N-diethyl-benzimidazole-5-sulfonamide Openeye Name: 2-(2-cyanoethylsulfanyl)-1-(2-ethoxyphenyl)-N,N-diethyl-benzimidazole-5-sulfonamide CAS Name: 2-(2-cyanoethylthio)-1-(2-ethoxyphenyl)-N,N-diethyl-5-benzimidazolesulfonamide IUPAC Name: 2-(2-cyanoethylsulfanyl)-1-(2-ethoxyphenyl)-N,N-diethylbenzimidazole-5-sulfonamide Traditional Name: 2-(2-cyanoethylthio)-N,N-diethyl-1-o-phenetyl-benzimidazole-5-sulfonamide Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCCC#N)C3=CC=CC=C3OCC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCCC#N)C3=CC=CC=C3OCC

InChI

InChI=1S/C22H26N4O3S2/c1-4-25(5-2)31(27,28)17-12-13-19-18(16-17)24-22(30-15-9-14-23)26(19)20-10-7-8-11-21(20)29-6-3/h7-8,10-13,16H,4-6,9,15H2,1-3H3