methyl 4-[[4-methylsulfonyl-2-(3-oxidanylidene-1H-isoindol-2-yl)butanoyl]amino]benzoate

Systemtic Name: methyl 4-[[4-methylsulfonyl-2-(3-oxidanylidene-1H-isoindol-2-yl)butanoyl]amino]benzoate Openeye Name: methyl 4-[[4-methylsulfonyl-2-(1-oxoisoindolin-2-yl)butanoyl]amino]benzoate CAS Name: 4-[[4-methylsulfonyl-1-oxo-2-(3-oxo-1H-isoindol-2-yl)butyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]amino]benzoate Traditional Name: 4-[[2-(1-ketoisoindolin-2-yl)-4-mesyl-butanoyl]amino]benzoic acid methyl ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O6S/c1-29-21(26)14-7-9-16(10-8-14)22-19(24)18(11-12-30(2,27)28)23-13-15-5-3-4-6-17(15)20(23)25/h3-10,18H,11-13H2,1-2H3,(H,22,24)