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

Systemtic Name: 2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[[2-(3-chlorophenyl)oxazol-4-yl]methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[[2-(3-chlorophenyl)-4-oxazolyl]methylthio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[[2-(3-chlorophenyl)oxazol-4-yl]methylthio]-1-propyl-benzimidazole-5-sulfonamide Formula: C20H19ClN4O3S2 MolecularWeight: 462.97286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN4O3S2/c1-2-8-25-18-7-6-16(30(22,26)27)10-17(18)24-20(25)29-12-15-11-28-19(23-15)13-4-3-5-14(21)9-13/h3-7,9-11H,2,8,12H2,1H3,(H2,22,26,27)