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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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