[5-methyl-1,3-bis(oxidanylidene)-6-phenoxy-7-propoxy-isoindol-4-yl] 3-morpholin-2-ylsulfonylbenzenesulfonate

Systemtic Name: [5-methyl-1,3-bis(oxidanylidene)-6-phenoxy-7-propoxy-isoindol-4-yl] 3-morpholin-2-ylsulfonylbenzenesulfonate Openeye Name: (5-methyl-1,3-dioxo-6-phenoxy-7-propoxy-isoindolin-4-yl) 3-morpholin-2-ylsulfonylbenzenesulfonate CAS Name: 3-(2-morpholinylsulfonyl)benzenesulfonic acid (5-methyl-1,3-dioxo-6-phenoxy-7-propoxy-4-isoindolyl) ester IUPAC Name: (5-methyl-1,3-dioxo-6-phenoxy-7-propoxyisoindol-4-yl) 3-morpholin-2-ylsulfonylbenzenesulfonate Traditional Name: 3-morpholin-2-ylsulfonylbenzenesulfonic acid (1,3-diketo-5-methyl-6-phenoxy-7-propoxy-isoindolin-4-yl) ester Formula: C28H28N2O10S2 MolecularWeight: 616.65932

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C(=C(C2=C1C(=O)NC2=O)OS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)C4CNCCO4)C)OC5=CC=CC=C5

Isomeric SMILES

CCCOC1=C(C(=C(C2=C1C(=O)NC2=O)OS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)C4CNCCO4)C)OC5=CC=CC=C5

InChI

InChI=1S/C28H28N2O10S2/c1-3-13-38-26-23-22(27(31)30-28(23)32)24(17(2)25(26)39-18-8-5-4-6-9-18)40-42(35,36)20-11-7-10-19(15-20)41(33,34)21-16-29-12-14-37-21/h4-11,15,21,29H,3,12-14,16H2,1-2H3,(H,30,31,32)