2-(1H-benzimidazol-2-ylsulfanylmethyl)-1-ethyl-N,N-dimethyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-1-ethyl-N,N-dimethyl-benzimidazole-5-sulfonamide Openeye Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-1-ethyl-N,N-dimethyl-benzimidazole-5-sulfonamide CAS Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-1-ethyl-N,N-dimethyl-5-benzimidazolesulfonamide IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide Traditional Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-1-ethyl-N,N-dimethyl-benzimidazole-5-sulfonamide Formula: C19H21N5O2S2 MolecularWeight: 415.53234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C19H21N5O2S2/c1-4-24-17-10-9-13(28(25,26)23(2)3)11-16(17)20-18(24)12-27-19-21-14-7-5-6-8-15(14)22-19/h5-11H,4,12H2,1-3H3,(H,21,22)