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

Systemtic Name: [3-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]oxypropoxy]-5-ethyl-phenyl] 2-methylsulfonylbenzenesulfonate Openeye Name: [3-[3-(1,3-dioxoisoindolin-2-yl)oxypropoxy]-5-ethyl-phenyl] 2-methylsulfonylbenzenesulfonate CAS Name: 2-methylsulfonylbenzenesulfonic acid [3-[3-[(1,3-dioxo-2-isoindolyl)oxy]propoxy]-5-ethylphenyl] ester IUPAC Name: [3-[3-(1,3-dioxoisoindol-2-yl)oxypropoxy]-5-ethylphenyl] 2-methylsulfonylbenzenesulfonate Traditional Name: 2-mesylbenzenesulfonic acid [3-ethyl-5-(3-phthalimidooxypropoxy)phenyl] ester Formula: C26H25NO9S2 MolecularWeight: 559.608

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C)OCCCON3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C)OCCCON3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C26H25NO9S2/c1-3-18-15-19(34-13-8-14-35-27-25(28)21-9-4-5-10-22(21)26(27)29)17-20(16-18)36-38(32,33)24-12-7-6-11-23(24)37(2,30)31/h4-7,9-12,15-17H,3,8,13-14H2,1-2H3