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

Systemtic Name: 2-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(3,5-dimethylphenyl)-4-methylsulfonyl-butanamide Openeye Name: 2-(5-bromo-1,3-dioxo-isoindolin-2-yl)-N-(3,5-dimethylphenyl)-4-methylsulfonyl-butanamide CAS Name: 2-(5-bromo-1,3-dioxo-2-isoindolyl)-N-(3,5-dimethylphenyl)-4-methylsulfonylbutanamide IUPAC Name: 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(3,5-dimethylphenyl)-4-methylsulfonylbutanamide Traditional Name: 2-(5-bromo-1,3-diketo-isoindolin-2-yl)-N-(3,5-dimethylphenyl)-4-mesyl-butyramide Formula: C21H21BrN2O5S MolecularWeight: 493.37084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(CCS(=O)(=O)C)N2C(=O)C3=C(C2=O)C=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C(CCS(=O)(=O)C)N2C(=O)C3=C(C2=O)C=C(C=C3)Br)C

InChI

InChI=1S/C21H21BrN2O5S/c1-12-8-13(2)10-15(9-12)23-19(25)18(6-7-30(3,28)29)24-20(26)16-5-4-14(22)11-17(16)21(24)27/h4-5,8-11,18H,6-7H2,1-3H3,(H,23,25)