[3-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]oxypropoxy]-5-methyl-phenyl] 2-methylsulfonylbenzenesulfonate

Systemtic Name: [3-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]oxypropoxy]-5-methyl-phenyl] 2-methylsulfonylbenzenesulfonate Openeye Name: [3-[3-(1,3-dioxoisoindolin-2-yl)oxypropoxy]-5-methyl-phenyl] 2-methylsulfonylbenzenesulfonate CAS Name: 2-methylsulfonylbenzenesulfonic acid [3-[3-[(1,3-dioxo-2-isoindolyl)oxy]propoxy]-5-methylphenyl] ester IUPAC Name: [3-[3-(1,3-dioxoisoindol-2-yl)oxypropoxy]-5-methylphenyl] 2-methylsulfonylbenzenesulfonate Traditional Name: 2-mesylbenzenesulfonic acid [3-methyl-5-(3-phthalimidooxypropoxy)phenyl] ester Formula: C25H23NO9S2 MolecularWeight: 545.58142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C)OCCCON3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C)OCCCON3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H23NO9S2/c1-17-14-18(33-12-7-13-34-26-24(27)20-8-3-4-9-21(20)25(26)28)16-19(15-17)35-37(31,32)23-11-6-5-10-22(23)36(2,29)30/h3-6,8-11,14-16H,7,12-13H2,1-2H3