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

Systemtic Name: [5-(dimethylsulfamoyl)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl] 2-methylbenzenesulfonate Openeye Name: [5-(dimethylsulfamoyl)-1,3-dioxo-benzo[de]isoquinolin-2-yl] 2-methylbenzenesulfonate CAS Name: 2-methylbenzenesulfonic acid [5-(dimethylsulfamoyl)-1,3-dioxo-2-benzo[de]isoquinolinyl] ester IUPAC Name: [5-(dimethylsulfamoyl)-1,3-dioxobenzo[de]isoquinolin-2-yl] 2-methylbenzenesulfonate Traditional Name: 2-methylbenzenesulfonic acid [5-(dimethylsulfamoyl)-1,3-diketo-benzo[de]isoquinolin-2-yl] ester Formula: C21H18N2O7S2 MolecularWeight: 474.50682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)ON2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)ON2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)S(=O)(=O)N(C)C

InChI

InChI=1S/C21H18N2O7S2/c1-13-7-4-5-10-18(13)32(28,29)30-23-20(24)16-9-6-8-14-11-15(31(26,27)22(2)3)12-17(19(14)16)21(23)25/h4-12H,1-3H3