2-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N,N,1-triethyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N,N,1-triethyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N,N,1-triethyl-benzimidazole-5-sulfonamide CAS Name: 2-[(7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-N,N,1-triethyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N,N,1-triethylbenzimidazole-5-sulfonamide Traditional Name: 2-[(7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methylthio]-N,N,1-triethyl-benzimidazole-5-sulfonamide Formula: C22H24BrN5O3S2 MolecularWeight: 550.49166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCC3=CC(=O)N4C=C(C=CC4=N3)Br

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCC3=CC(=O)N4C=C(C=CC4=N3)Br

InChI

InChI=1S/C22H24BrN5O3S2/c1-4-26(5-2)33(30,31)17-8-9-19-18(12-17)25-22(27(19)6-3)32-14-16-11-21(29)28-13-15(23)7-10-20(28)24-16/h7-13H,4-6,14H2,1-3H3