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

Systemtic Name: 2-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(2-methoxyphenyl)-4-methylsulfonyl-butanamide Openeye Name: 2-(5-bromo-1,3-dioxo-isoindolin-2-yl)-N-(2-methoxyphenyl)-4-methylsulfonyl-butanamide CAS Name: 2-(5-bromo-1,3-dioxo-2-isoindolyl)-N-(2-methoxyphenyl)-4-methylsulfonylbutanamide IUPAC Name: 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)-4-methylsulfonylbutanamide Traditional Name: 2-(5-bromo-1,3-diketo-isoindolin-2-yl)-4-mesyl-N-(2-methoxyphenyl)butyramide Formula: C20H19BrN2O6S MolecularWeight: 495.34366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C(CCS(=O)(=O)C)N2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C(CCS(=O)(=O)C)N2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C20H19BrN2O6S/c1-29-17-6-4-3-5-15(17)22-18(24)16(9-10-30(2,27)28)23-19(25)13-8-7-12(21)11-14(13)20(23)26/h3-8,11,16H,9-10H2,1-2H3,(H,22,24)