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

Systemtic Name: N-[2-(4-methylsulfanylphenyl)ethyl]-4-methylsulfonyl-2-(3-oxidanylidene-1H-isoindol-2-yl)butanamide Openeye Name: N-[2-(4-methylsulfanylphenyl)ethyl]-4-methylsulfonyl-2-(1-oxoisoindolin-2-yl)butanamide CAS Name: 4-methylsulfonyl-N-[2-[4-(methylthio)phenyl]ethyl]-2-(3-oxo-1H-isoindol-2-yl)butanamide IUPAC Name: N-[2-(4-methylsulfanylphenyl)ethyl]-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide Traditional Name: 2-(1-ketoisoindolin-2-yl)-4-mesyl-N-[2-[4-(methylthio)phenyl]ethyl]butyramide Formula: C22H26N2O4S2 MolecularWeight: 446.58284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S2/c1-29-18-9-7-16(8-10-18)11-13-23-21(25)20(12-14-30(2,27)28)24-15-17-5-3-4-6-19(17)22(24)26/h3-10,20H,11-15H2,1-2H3,(H,23,25)