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

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfonyl-butanoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfonyl-butanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-methylsulfonylbutanoic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonylbutanoate Traditional Name: 4-mesyl-2-phthalimido-butyric acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C22H21NO7S MolecularWeight: 443.46964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)C(CCS(=O)(=O)C)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)C(CCS(=O)(=O)C)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H21NO7S/c1-14-7-9-15(10-8-14)19(24)13-30-22(27)18(11-12-31(2,28)29)23-20(25)16-5-3-4-6-17(16)21(23)26/h3-10,18H,11-13H2,1-2H3