[5-(dimethylsulfamoyl)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl] 3-nitrobenzenesulfonate

Systemtic Name: [5-(dimethylsulfamoyl)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl] 3-nitrobenzenesulfonate Openeye Name: [5-(dimethylsulfamoyl)-1,3-dioxo-benzo[de]isoquinolin-2-yl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [5-(dimethylsulfamoyl)-1,3-dioxo-2-benzo[de]isoquinolinyl] ester IUPAC Name: [5-(dimethylsulfamoyl)-1,3-dioxobenzo[de]isoquinolin-2-yl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [5-(dimethylsulfamoyl)-1,3-diketo-benzo[de]isoquinolin-2-yl] ester Formula: C20H15N3O9S2 MolecularWeight: 505.4778

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC2=C3C(=C1)C=CC=C3C(=O)N(C2=O)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC2=C3C(=C1)C=CC=C3C(=O)N(C2=O)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O9S2/c1-21(2)33(28,29)15-9-12-5-3-8-16-18(12)17(11-15)20(25)22(19(16)24)32-34(30,31)14-7-4-6-13(10-14)23(26)27/h3-11H,1-2H3