N-(3-ethanoylphenyl)-4-methylsulfonyl-2-(3-oxidanylidene-1H-isoindol-2-yl)butanamide

Systemtic Name: N-(3-ethanoylphenyl)-4-methylsulfonyl-2-(3-oxidanylidene-1H-isoindol-2-yl)butanamide Openeye Name: N-(3-acetylphenyl)-4-methylsulfonyl-2-(1-oxoisoindolin-2-yl)butanamide CAS Name: N-(3-acetylphenyl)-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide IUPAC Name: N-(3-acetylphenyl)-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide Traditional Name: N-(3-acetylphenyl)-2-(1-ketoisoindolin-2-yl)-4-mesyl-butyramide Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S/c1-14(24)15-7-5-8-17(12-15)22-20(25)19(10-11-29(2,27)28)23-13-16-6-3-4-9-18(16)21(23)26/h3-9,12,19H,10-11,13H2,1-2H3,(H,22,25)