2-(cyanomethylsulfanyl)-N,N-diethyl-1-(4-methoxyphenyl)benzimidazole-5-sulfonamide

Systemtic Name: 2-(cyanomethylsulfanyl)-N,N-diethyl-1-(4-methoxyphenyl)benzimidazole-5-sulfonamide Openeye Name: 2-(cyanomethylsulfanyl)-N,N-diethyl-1-(4-methoxyphenyl)benzimidazole-5-sulfonamide CAS Name: 2-(cyanomethylthio)-N,N-diethyl-1-(4-methoxyphenyl)-5-benzimidazolesulfonamide IUPAC Name: 2-(cyanomethylsulfanyl)-N,N-diethyl-1-(4-methoxyphenyl)benzimidazole-5-sulfonamide Traditional Name: 2-(cyanomethylthio)-N,N-diethyl-1-(4-methoxyphenyl)benzimidazole-5-sulfonamide Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC#N)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC#N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H22N4O3S2/c1-4-23(5-2)29(25,26)17-10-11-19-18(14-17)22-20(28-13-12-21)24(19)15-6-8-16(27-3)9-7-15/h6-11,14H,4-5,13H2,1-3H3