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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfonyl-N-(3-quinoxalin-2-ylphenyl)butanamide Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfonyl-N-(3-quinoxalin-2-ylphenyl)butanamide CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-methylsulfonyl-N-[3-(2-quinoxalinyl)phenyl]butanamide IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonyl-N-(3-quinoxalin-2-ylphenyl)butanamide Traditional Name: 4-mesyl-2-phthalimido-N-(3-quinoxalin-2-ylphenyl)butyramide Formula: C27H22N4O5S MolecularWeight: 514.55238

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3N=C2)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3N=C2)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C27H22N4O5S/c1-37(35,36)14-13-24(31-26(33)19-9-2-3-10-20(19)27(31)34)25(32)29-18-8-6-7-17(15-18)23-16-28-21-11-4-5-12-22(21)30-23/h2-12,15-16,24H,13-14H2,1H3,(H,29,32)