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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC(=O)C(CCS(=O)(=O)C)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCC1=CC=C(C=C1)OC(=O)[C@H](CCS(=O)(=O)C)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H21NO6S/c1-3-14-8-10-15(11-9-14)28-21(25)18(12-13-29(2,26)27)22-19(23)16-6-4-5-7-17(16)20(22)24/h4-11,18H,3,12-13H2,1-2H3/t18-/m0/s1