N-(2,5-dimethylphenyl)-4-methylsulfonyl-2-(3-oxidanylidene-1H-isoindol-2-yl)butanamide

Systemtic Name: N-(2,5-dimethylphenyl)-4-methylsulfonyl-2-(3-oxidanylidene-1H-isoindol-2-yl)butanamide Openeye Name: N-(2,5-dimethylphenyl)-4-methylsulfonyl-2-(1-oxoisoindolin-2-yl)butanamide CAS Name: N-(2,5-dimethylphenyl)-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide IUPAC Name: N-(2,5-dimethylphenyl)-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide Traditional Name: N-(2,5-dimethylphenyl)-2-(1-ketoisoindolin-2-yl)-4-mesyl-butyramide Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(CCS(=O)(=O)C)N2CC3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(CCS(=O)(=O)C)N2CC3=CC=CC=C3C2=O

InChI

InChI=1S/C21H24N2O4S/c1-14-8-9-15(2)18(12-14)22-20(24)19(10-11-28(3,26)27)23-13-16-6-4-5-7-17(16)21(23)25/h4-9,12,19H,10-11,13H2,1-3H3,(H,22,24)