1-butyl-2-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[[1-(4-chlorophenyl)-2-imidazolyl]thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[[1-(4-chlorophenyl)imidazol-2-yl]thio]methyl]benzimidazole-5-sulfonamide Formula: C21H22ClN5O2S2 MolecularWeight: 476.01468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NC=CN3C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NC=CN3C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN5O2S2/c1-2-3-11-27-19-9-8-17(31(23,28)29)13-18(19)25-20(27)14-30-21-24-10-12-26(21)16-6-4-15(22)5-7-16/h4-10,12-13H,2-3,11,14H2,1H3,(H2,23,28,29)