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

Systemtic Name: (4-bromophenyl)methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfonyl-butanoate Openeye Name: (4-bromophenyl)methyl 2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfonyl-butanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-methylsulfonylbutanoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonylbutanoate Traditional Name: 4-mesyl-2-phthalimido-butyric acid (4-bromobenzyl) ester Formula: C20H18BrNO6S MolecularWeight: 480.32902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)OCC1=CC=C(C=C1)Br)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)OCC1=CC=C(C=C1)Br)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H18BrNO6S/c1-29(26,27)11-10-17(20(25)28-12-13-6-8-14(21)9-7-13)22-18(23)15-4-2-3-5-16(15)19(22)24/h2-9,17H,10-12H2,1H3