3-[6-(2-hydroxyethylamino)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzenesulfonamide

Systemtic Name: 3-[6-(2-hydroxyethylamino)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzenesulfonamide Openeye Name: 3-[6-(2-hydroxyethylamino)-1,3-dioxo-benzo[de]isoquinolin-2-yl]benzenesulfonamide CAS Name: 3-[6-(2-hydroxyethylamino)-1,3-dioxo-2-benzo[de]isoquinolinyl]benzenesulfonamide IUPAC Name: 3-[6-(2-hydroxyethylamino)-1,3-dioxobenzo[de]isoquinolin-2-yl]benzenesulfonamide Traditional Name: 3-[6-(2-hydroxyethylamino)-1,3-diketo-benzo[de]isoquinolin-2-yl]benzenesulfonamide Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)N)N2C(=O)C3=C4C(=C(C=C3)NCCO)C=CC=C4C2=O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)N)N2C(=O)C3=C4C(=C(C=C3)NCCO)C=CC=C4C2=O

InChI

InChI=1S/C20H17N3O5S/c21-29(27,28)13-4-1-3-12(11-13)23-19(25)15-6-2-5-14-17(22-9-10-24)8-7-16(18(14)15)20(23)26/h1-8,11,22,24H,9-10H2,(H2,21,27,28)