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

Systemtic Name: 2-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(2-ethoxyphenyl)-4-methylsulfonyl-butanamide Openeye Name: 2-(5-bromo-1,3-dioxo-isoindolin-2-yl)-N-(2-ethoxyphenyl)-4-methylsulfonyl-butanamide CAS Name: 2-(5-bromo-1,3-dioxo-2-isoindolyl)-N-(2-ethoxyphenyl)-4-methylsulfonylbutanamide IUPAC Name: 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-ethoxyphenyl)-4-methylsulfonylbutanamide Traditional Name: 2-(5-bromo-1,3-diketo-isoindolin-2-yl)-4-mesyl-N-o-phenetyl-butyramide Formula: C21H21BrN2O6S MolecularWeight: 509.37024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(CCS(=O)(=O)C)N2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C(CCS(=O)(=O)C)N2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C21H21BrN2O6S/c1-3-30-18-7-5-4-6-16(18)23-19(25)17(10-11-31(2,28)29)24-20(26)14-9-8-13(22)12-15(14)21(24)27/h4-9,12,17H,3,10-11H2,1-2H3,(H,23,25)