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

Systemtic Name: 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide Openeye Name: 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide CAS Name: 4-(1,3-dioxo-2-benzo[de]isoquinolinyl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]butanamide IUPAC Name: 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide Traditional Name: 4-(1,3-diketobenzo[de]isoquinolin-2-yl)-N-(4-pyrrolidinosulfonylphenyl)butyramide Formula: C26H25N3O5S MolecularWeight: 491.5588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

InChI=1S/C26H25N3O5S/c30-23(27-19-11-13-20(14-12-19)35(33,34)28-15-1-2-16-28)10-5-17-29-25(31)21-8-3-6-18-7-4-9-22(24(18)21)26(29)32/h3-4,6-9,11-14H,1-2,5,10,15-17H2,(H,27,30)