2-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfonyl-N-(3-quinoxalin-2-ylphenyl)butanamide

Systemtic Name: 2-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfonyl-N-(3-quinoxalin-2-ylphenyl)butanamide Openeye Name: 2-(5-bromo-1,3-dioxo-isoindolin-2-yl)-4-methylsulfonyl-N-(3-quinoxalin-2-ylphenyl)butanamide CAS Name: 2-(5-bromo-1,3-dioxo-2-isoindolyl)-4-methylsulfonyl-N-[3-(2-quinoxalinyl)phenyl]butanamide IUPAC Name: 2-(5-bromo-1,3-dioxoisoindol-2-yl)-4-methylsulfonyl-N-(3-quinoxalin-2-ylphenyl)butanamide Traditional Name: 2-(5-bromo-1,3-diketo-isoindolin-2-yl)-4-mesyl-N-(3-quinoxalin-2-ylphenyl)butyramide Formula: C27H21BrN4O5S MolecularWeight: 593.44844

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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=C(C4=O)C=C(C=C5)Br

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3N=C2)N4C(=O)C5=C(C4=O)C=C(C=C5)Br

InChI

InChI=1S/C27H21BrN4O5S/c1-38(36,37)12-11-24(32-26(34)19-10-9-17(28)14-20(19)27(32)35)25(33)30-18-6-4-5-16(13-18)23-15-29-21-7-2-3-8-22(21)31-23/h2-10,13-15,24H,11-12H2,1H3,(H,30,33)