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

Systemtic Name: 1-butyl-2-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[[1-(4-methoxyphenyl)-2-imidazolyl]thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[[1-(4-methoxyphenyl)imidazol-2-yl]thio]methyl]benzimidazole-5-sulfonamide Formula: C22H25N5O3S2 MolecularWeight: 471.5956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O3S2/c1-3-4-12-27-20-10-9-18(32(23,28)29)14-19(20)25-21(27)15-31-22-24-11-13-26(22)16-5-7-17(30-2)8-6-16/h5-11,13-14H,3-4,12,15H2,1-2H3,(H2,23,28,29)