1-butyl-2-[2-(2-ethanoylphenoxy)ethylsulfanyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[2-(2-ethanoylphenoxy)ethylsulfanyl]benzimidazole-5-sulfonamide Openeye Name: 2-[2-(2-acetylphenoxy)ethylsulfanyl]-1-butyl-benzimidazole-5-sulfonamide CAS Name: 2-[2-(2-acetylphenoxy)ethylthio]-1-butyl-5-benzimidazolesulfonamide IUPAC Name: 2-[2-(2-acetylphenoxy)ethylsulfanyl]-1-butylbenzimidazole-5-sulfonamide Traditional Name: 2-[2-(2-acetylphenoxy)ethylthio]-1-butyl-benzimidazole-5-sulfonamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCCOC3=CC=CC=C3C(=O)C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCCOC3=CC=CC=C3C(=O)C

InChI

InChI=1S/C21H25N3O4S2/c1-3-4-11-24-19-10-9-16(30(22,26)27)14-18(19)23-21(24)29-13-12-28-20-8-6-5-7-17(20)15(2)25/h5-10,14H,3-4,11-13H2,1-2H3,(H2,22,26,27)