[3-(4-methylsulfonylphenyl)-3-oxidanyl-2-(1-oxidanyl-3-oxidanylidene-1H-isoindol-2-yl)propyl] ethanoate

Systemtic Name: [3-(4-methylsulfonylphenyl)-3-oxidanyl-2-(1-oxidanyl-3-oxidanylidene-1H-isoindol-2-yl)propyl] ethanoate Openeye Name: [3-hydroxy-2-(1-hydroxy-3-oxo-isoindolin-2-yl)-3-(4-methylsulfonylphenyl)propyl] acetate CAS Name: acetic acid [3-hydroxy-2-(1-hydroxy-3-oxo-1H-isoindol-2-yl)-3-(4-methylsulfonylphenyl)propyl] ester IUPAC Name: [3-hydroxy-2-(1-hydroxy-3-oxo-1H-isoindol-2-yl)-3-(4-methylsulfonylphenyl)propyl] acetate Traditional Name: acetic acid [3-hydroxy-2-(1-hydroxy-3-keto-isoindolin-2-yl)-3-(4-mesylphenyl)propyl] ester Formula: C20H21NO7S MolecularWeight: 419.44824

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C(C1=CC=C(C=C1)S(=O)(=O)C)O)N2C(C3=CC=CC=C3C2=O)O

Isomeric SMILES

CC(=O)OCC(C(C1=CC=C(C=C1)S(=O)(=O)C)O)N2C(C3=CC=CC=C3C2=O)O

InChI

InChI=1S/C20H21NO7S/c1-12(22)28-11-17(18(23)13-7-9-14(10-8-13)29(2,26)27)21-19(24)15-5-3-4-6-16(15)20(21)25/h3-10,17-19,23-24H,11H2,1-2H3