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

Systemtic Name: 2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[[3-(4-methoxyphenyl)isoxazol-5-yl]methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[[3-(4-methoxyphenyl)-5-isoxazolyl]methylthio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[[3-(4-methoxyphenyl)isoxazol-5-yl]methylthio]-1-propyl-benzimidazole-5-sulfonamide Formula: C21H22N4O4S2 MolecularWeight: 458.55378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CC(=NO3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CC(=NO3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H22N4O4S2/c1-3-10-25-20-9-8-17(31(22,26)27)12-19(20)23-21(25)30-13-16-11-18(24-29-16)14-4-6-15(28-2)7-5-14/h4-9,11-12H,3,10,13H2,1-2H3,(H2,22,26,27)