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

Systemtic Name: [6-morpholin-4-ylsulfonyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl] 4-chloranylbenzenesulfonate Openeye Name: (6-morpholinosulfonyl-1,3-dioxo-benzo[de]isoquinolin-2-yl) 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic 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) 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid (1,3-diketo-6-morpholinosulfonyl-benzo[de]isoquinolin-2-yl) ester Formula: C22H17ClN2O8S2 MolecularWeight: 536.96198

Click to see the large picture

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=C(C=C5)Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)OS(=O)(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C22H17ClN2O8S2/c23-14-4-6-15(7-5-14)35(30,31)33-25-21(26)17-3-1-2-16-19(9-8-18(20(16)17)22(25)27)34(28,29)24-10-12-32-13-11-24/h1-9H,10-13H2