4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N-(4-methylsulfonylphenyl)butanamide

Systemtic Name: 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N-(4-methylsulfonylphenyl)butanamide Openeye Name: 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-methylsulfonylphenyl)butanamide CAS Name: 4-(1,3-dioxo-2-benzo[de]isoquinolinyl)-N-(4-methylsulfonylphenyl)butanamide IUPAC Name: 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-methylsulfonylphenyl)butanamide Traditional Name: 4-(1,3-diketobenzo[de]isoquinolin-2-yl)-N-(4-mesylphenyl)butyramide Formula: C23H20N2O5S MolecularWeight: 436.4803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

InChI

InChI=1S/C23H20N2O5S/c1-31(29,30)17-12-10-16(11-13-17)24-20(26)9-4-14-25-22(27)18-7-2-5-15-6-3-8-19(21(15)18)23(25)28/h2-3,5-8,10-13H,4,9,14H2,1H3,(H,24,26)