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

Systemtic Name: (4-chloranyl-2-methyl-phenyl) (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfonyl-butanoate Openeye Name: (4-chloro-2-methyl-phenyl) (2S)-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfonyl-butanoate CAS Name: (2S)-2-(1,3-dioxo-2-isoindolyl)-4-methylsulfonylbutanoic acid (4-chloro-2-methylphenyl) ester IUPAC Name: (4-chloro-2-methylphenyl) (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonylbutanoate Traditional Name: (2S)-4-mesyl-2-phthalimido-butyric acid (4-chloro-2-methyl-phenyl) ester Formula: C20H18ClNO6S MolecularWeight: 435.87802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClNO6S/c1-12-11-13(21)7-8-17(12)28-20(25)16(9-10-29(2,26)27)22-18(23)14-5-3-4-6-15(14)19(22)24/h3-8,11,16H,9-10H2,1-2H3/t16-/m0/s1