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

Systemtic Name: 2-(2-cyanoethylsulfanyl)-N,N-diethyl-1-(4-methoxyphenyl)benzimidazole-5-sulfonamide Openeye Name: 2-(2-cyanoethylsulfanyl)-N,N-diethyl-1-(4-methoxyphenyl)benzimidazole-5-sulfonamide CAS Name: 2-(2-cyanoethylthio)-N,N-diethyl-1-(4-methoxyphenyl)-5-benzimidazolesulfonamide IUPAC Name: 2-(2-cyanoethylsulfanyl)-N,N-diethyl-1-(4-methoxyphenyl)benzimidazole-5-sulfonamide Traditional Name: 2-(2-cyanoethylthio)-N,N-diethyl-1-(4-methoxyphenyl)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)SCCC#N)C3=CC=C(C=C3)OC

Isomeric SMILES

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

InChI

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