N,N-diethyl-1-(4-methoxyphenyl)-2-(3-oxidanylidenebutylsulfanyl)benzimidazole-5-sulfonamide

Systemtic Name: N,N-diethyl-1-(4-methoxyphenyl)-2-(3-oxidanylidenebutylsulfanyl)benzimidazole-5-sulfonamide Openeye Name: N,N-diethyl-1-(4-methoxyphenyl)-2-(3-oxobutylsulfanyl)benzimidazole-5-sulfonamide CAS Name: N,N-diethyl-1-(4-methoxyphenyl)-2-(3-oxobutylthio)-5-benzimidazolesulfonamide IUPAC Name: N,N-diethyl-1-(4-methoxyphenyl)-2-(3-oxobutylsulfanyl)benzimidazole-5-sulfonamide Traditional Name: N,N-diethyl-2-(3-ketobutylthio)-1-(4-methoxyphenyl)benzimidazole-5-sulfonamide Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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)SCCC(=O)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCCC(=O)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H27N3O4S2/c1-5-24(6-2)31(27,28)19-11-12-21-20(15-19)23-22(30-14-13-16(3)26)25(21)17-7-9-18(29-4)10-8-17/h7-12,15H,5-6,13-14H2,1-4H3