(4-chlorophenyl)methyl 2-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfonyl-butanoate

Systemtic Name: (4-chlorophenyl)methyl 2-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfonyl-butanoate Openeye Name: (4-chlorophenyl)methyl 2-(5-bromo-1,3-dioxo-isoindolin-2-yl)-4-methylsulfonyl-butanoate CAS Name: 2-(5-bromo-1,3-dioxo-2-isoindolyl)-4-methylsulfonylbutanoic acid (4-chlorophenyl)methyl ester IUPAC Name: (4-chlorophenyl)methyl 2-(5-bromo-1,3-dioxoisoindol-2-yl)-4-methylsulfonylbutanoate Traditional Name: 2-(5-bromo-1,3-diketo-isoindolin-2-yl)-4-mesyl-butyric acid (4-chlorobenzyl) ester Formula: C20H17BrClNO6S MolecularWeight: 514.77408

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)OCC1=CC=C(C=C1)Cl)N2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)OCC1=CC=C(C=C1)Cl)N2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C20H17BrClNO6S/c1-30(27,28)9-8-17(20(26)29-11-12-2-5-14(22)6-3-12)23-18(24)15-7-4-13(21)10-16(15)19(23)25/h2-7,10,17H,8-9,11H2,1H3