4-[2-[2-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethyl]benzenesulfonamide

Systemtic Name: 4-[2-[2-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethyl]benzenesulfonamide Openeye Name: 4-[2-[2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-oxo-quinazolin-3-yl]ethyl]benzenesulfonamide CAS Name: 4-[2-[2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-4-oxo-3-quinazolinyl]ethyl]benzenesulfonamide IUPAC Name: 4-[2-[2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-oxoquinazolin-3-yl]ethyl]benzenesulfonamide Traditional Name: 4-[2-[2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-4-keto-quinazolin-3-yl]ethyl]benzenesulfonamide Formula: C25H22FN3O5S2 MolecularWeight: 527.587683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=CC=CC=C4C(=O)N3CCC5=CC=C(C=C5)S(=O)(=O)N)F

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=CC=CC=C4C(=O)N3CCC5=CC=C(C=C5)S(=O)(=O)N)F

InChI

InChI=1S/C25H22FN3O5S2/c26-19-11-17-13-33-15-34-23(17)18(12-19)14-35-25-28-22-4-2-1-3-21(22)24(30)29(25)10-9-16-5-7-20(8-6-16)36(27,31)32/h1-8,11-12H,9-10,13-15H2,(H2,27,31,32)