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

Systemtic Name: (2,4-dimethylphenyl) (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfonyl-butanoate Openeye Name: (2,4-dimethylphenyl) (2S)-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfonyl-butanoate CAS Name: (2S)-2-(1,3-dioxo-2-isoindolyl)-4-methylsulfonylbutanoic acid (2,4-dimethylphenyl) ester IUPAC Name: (2,4-dimethylphenyl) (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonylbutanoate Traditional Name: (2S)-4-mesyl-2-phthalimido-butyric acid (2,4-dimethylphenyl) ester Formula: C21H21NO6S MolecularWeight: 415.45954

Click to see the large picture

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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO6S/c1-13-8-9-18(14(2)12-13)28-21(25)17(10-11-29(3,26)27)22-19(23)15-6-4-5-7-16(15)20(22)24/h4-9,12,17H,10-11H2,1-3H3/t17-/m0/s1