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

Systemtic Name: (4-quinoxalin-2-ylphenyl) 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfonyl-butanoate Openeye Name: (4-quinoxalin-2-ylphenyl) 2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfonyl-butanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-methylsulfonylbutanoic acid [4-(2-quinoxalinyl)phenyl] ester IUPAC Name: (4-quinoxalin-2-ylphenyl) 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonylbutanoate Traditional Name: 4-mesyl-2-phthalimido-butyric acid (4-quinoxalin-2-ylphenyl) ester Formula: C27H21N3O6S MolecularWeight: 515.53714

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)OC1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)OC1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C27H21N3O6S/c1-37(34,35)15-14-24(30-25(31)19-6-2-3-7-20(19)26(30)32)27(33)36-18-12-10-17(11-13-18)23-16-28-21-8-4-5-9-22(21)29-23/h2-13,16,24H,14-15H2,1H3