quinolin-8-yl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfonyl-butanoate

Systemtic Name: quinolin-8-yl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfonyl-butanoate Openeye Name: 8-quinolyl 2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfonyl-butanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-methylsulfonylbutanoic acid 8-quinolinyl ester IUPAC Name: quinolin-8-yl 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonylbutanoate Traditional Name: 4-mesyl-2-phthalimido-butyric acid 8-quinolyl ester Formula: C22H18N2O6S MolecularWeight: 438.45312

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)OC1=CC=CC2=C1N=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)OC1=CC=CC2=C1N=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H18N2O6S/c1-31(28,29)13-11-17(24-20(25)15-8-2-3-9-16(15)21(24)26)22(27)30-18-10-4-6-14-7-5-12-23-19(14)18/h2-10,12,17H,11,13H2,1H3