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

Systemtic Name: (4-acetamidophenyl) 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfonyl-butanoate Openeye Name: (4-acetamidophenyl) 2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfonyl-butanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-methylsulfonylbutanoic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonylbutanoate Traditional Name: 4-mesyl-2-phthalimido-butyric acid (4-acetamidophenyl) ester Formula: C21H20N2O7S MolecularWeight: 444.4577

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OC(=O)C(CCS(=O)(=O)C)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC(=O)C(CCS(=O)(=O)C)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H20N2O7S/c1-13(24)22-14-7-9-15(10-8-14)30-21(27)18(11-12-31(2,28)29)23-19(25)16-5-3-4-6-17(16)20(23)26/h3-10,18H,11-12H2,1-2H3,(H,22,24)