2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 1-propyl-2-[[2-(p-tolyl)oxazol-4-yl]methylsulfanyl]benzimidazole-5-sulfonamide CAS Name: 2-[[2-(4-methylphenyl)-4-oxazolyl]methylthio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1-propylbenzimidazole-5-sulfonamide Traditional Name: 1-propyl-2-[[2-(p-tolyl)oxazol-4-yl]methylthio]benzimidazole-5-sulfonamide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=COC(=N3)C4=CC=C(C=C4)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=COC(=N3)C4=CC=C(C=C4)C

InChI

InChI=1S/C21H22N4O3S2/c1-3-10-25-19-9-8-17(30(22,26)27)11-18(19)24-21(25)29-13-16-12-28-20(23-16)15-6-4-14(2)5-7-15/h4-9,11-12H,3,10,13H2,1-2H3,(H2,22,26,27)