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

Systemtic Name: 4-methylsulfonyl-2-(3-oxidanylidene-1H-isoindol-2-yl)-N-(3,4,5-trimethoxyphenyl)butanamide Openeye Name: 4-methylsulfonyl-2-(1-oxoisoindolin-2-yl)-N-(3,4,5-trimethoxyphenyl)butanamide CAS Name: 4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)-N-(3,4,5-trimethoxyphenyl)butanamide IUPAC Name: 4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)-N-(3,4,5-trimethoxyphenyl)butanamide Traditional Name: 2-(1-ketoisoindolin-2-yl)-4-mesyl-N-(3,4,5-trimethoxyphenyl)butyramide Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)C(CCS(=O)(=O)C)N2CC3=CC=CC=C3C2=O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)C(CCS(=O)(=O)C)N2CC3=CC=CC=C3C2=O

InChI

InChI=1S/C22H26N2O7S/c1-29-18-11-15(12-19(30-2)20(18)31-3)23-21(25)17(9-10-32(4,27)28)24-13-14-7-5-6-8-16(14)22(24)26/h5-8,11-12,17H,9-10,13H2,1-4H3,(H,23,25)