(4-ethanoylphenyl) (2R)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfonyl-butanoate

Systemtic Name: (4-ethanoylphenyl) (2R)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfonyl-butanoate Openeye Name: (4-acetylphenyl) (2R)-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfonyl-butanoate CAS Name: (2R)-2-(1,3-dioxo-2-isoindolyl)-4-methylsulfonylbutanoic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) (2R)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonylbutanoate Traditional Name: (2R)-4-mesyl-2-phthalimido-butyric acid (4-acetylphenyl) ester Formula: C21H19NO7S MolecularWeight: 429.44306

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)C(CCS(=O)(=O)C)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(=O)[C@@H](CCS(=O)(=O)C)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H19NO7S/c1-13(23)14-7-9-15(10-8-14)29-21(26)18(11-12-30(2,27)28)22-19(24)16-5-3-4-6-17(16)20(22)25/h3-10,18H,11-12H2,1-2H3/t18-/m1/s1