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

Systemtic Name: (4-methylphenyl) (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfonyl-butanoate Openeye Name: p-tolyl (2S)-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfonyl-butanoate CAS Name: (2S)-2-(1,3-dioxo-2-isoindolyl)-4-methylsulfonylbutanoic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonylbutanoate Traditional Name: (2S)-4-mesyl-2-phthalimido-butyric acid p-tolyl ester Formula: C20H19NO6S MolecularWeight: 401.43296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)OC(=O)[C@H](CCS(=O)(=O)C)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H19NO6S/c1-13-7-9-14(10-8-13)27-20(24)17(11-12-28(2,25)26)21-18(22)15-5-3-4-6-16(15)19(21)23/h3-10,17H,11-12H2,1-2H3/t17-/m0/s1