[6-morpholin-4-ylsulfonyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl] 3-nitrobenzenesulfonate

Systemtic Name: [6-morpholin-4-ylsulfonyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl] 3-nitrobenzenesulfonate Openeye Name: (6-morpholinosulfonyl-1,3-dioxo-benzo[de]isoquinolin-2-yl) 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [6-(4-morpholinylsulfonyl)-1,3-dioxo-2-benzo[de]isoquinolinyl] ester IUPAC Name: (6-morpholin-4-ylsulfonyl-1,3-dioxobenzo[de]isoquinolin-2-yl) 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid (1,3-diketo-6-morpholinosulfonyl-benzo[de]isoquinolin-2-yl) ester Formula: C22H17N3O10S2 MolecularWeight: 547.51448

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)OS(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)OS(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O10S2/c26-21-17-6-2-5-16-19(36(30,31)23-9-11-34-12-10-23)8-7-18(20(16)17)22(27)24(21)35-37(32,33)15-4-1-3-14(13-15)25(28)29/h1-8,13H,9-12H2