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

Systemtic Name: 2-(cyanomethylsulfanyl)-1-(2-ethoxyphenyl)-N,N-diethyl-benzimidazole-5-sulfonamide Openeye Name: 2-(cyanomethylsulfanyl)-1-(2-ethoxyphenyl)-N,N-diethyl-benzimidazole-5-sulfonamide CAS Name: 2-(cyanomethylthio)-1-(2-ethoxyphenyl)-N,N-diethyl-5-benzimidazolesulfonamide IUPAC Name: 2-(cyanomethylsulfanyl)-1-(2-ethoxyphenyl)-N,N-diethylbenzimidazole-5-sulfonamide Traditional Name: 2-(cyanomethylthio)-N,N-diethyl-1-o-phenetyl-benzimidazole-5-sulfonamide Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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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=CC=C3OCC

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3S2/c1-4-24(5-2)30(26,27)16-11-12-18-17(15-16)23-21(29-14-13-22)25(18)19-9-7-8-10-20(19)28-6-3/h7-12,15H,4-6,14H2,1-3H3