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

Systemtic Name: N-(3-methylsulfanylphenyl)-4-methylsulfonyl-2-(3-oxidanylidene-1H-isoindol-2-yl)butanamide Openeye Name: N-(3-methylsulfanylphenyl)-4-methylsulfonyl-2-(1-oxoisoindolin-2-yl)butanamide CAS Name: 4-methylsulfonyl-N-[3-(methylthio)phenyl]-2-(3-oxo-1H-isoindol-2-yl)butanamide IUPAC Name: N-(3-methylsulfanylphenyl)-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide Traditional Name: 2-(1-ketoisoindolin-2-yl)-4-mesyl-N-[3-(methylthio)phenyl]butyramide Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C(CCS(=O)(=O)C)N2CC3=CC=CC=C3C2=O

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C(CCS(=O)(=O)C)N2CC3=CC=CC=C3C2=O

InChI

InChI=1S/C20H22N2O4S2/c1-27-16-8-5-7-15(12-16)21-19(23)18(10-11-28(2,25)26)22-13-14-6-3-4-9-17(14)20(22)24/h3-9,12,18H,10-11,13H2,1-2H3,(H,21,23)