2-[(4-bromophenyl)methylsulfanyl]-N,N-diethyl-1-(2-methoxyphenyl)benzimidazole-5-sulfonamide

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-N,N-diethyl-1-(2-methoxyphenyl)benzimidazole-5-sulfonamide Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-N,N-diethyl-1-(2-methoxyphenyl)benzimidazole-5-sulfonamide CAS Name: 2-[(4-bromophenyl)methylthio]-N,N-diethyl-1-(2-methoxyphenyl)-5-benzimidazolesulfonamide IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-N,N-diethyl-1-(2-methoxyphenyl)benzimidazole-5-sulfonamide Traditional Name: 2-[(4-bromobenzyl)thio]-N,N-diethyl-1-(2-methoxyphenyl)benzimidazole-5-sulfonamide Formula: C25H26BrN3O3S2 MolecularWeight: 560.52624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=CC=C(C=C3)Br)C4=CC=CC=C4OC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=CC=C(C=C3)Br)C4=CC=CC=C4OC

InChI

InChI=1S/C25H26BrN3O3S2/c1-4-28(5-2)34(30,31)20-14-15-22-21(16-20)27-25(33-17-18-10-12-19(26)13-11-18)29(22)23-8-6-7-9-24(23)32-3/h6-16H,4-5,17H2,1-3H3