2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(2,4-dimethylphenyl)-4-methylsulfonyl-butanamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(2,4-dimethylphenyl)-4-methylsulfonyl-butanamide Openeye Name: N-(2,4-dimethylphenyl)-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfonyl-butanamide CAS Name: N-(2,4-dimethylphenyl)-2-(1,3-dioxo-2-isoindolyl)-4-methylsulfonylbutanamide IUPAC Name: N-(2,4-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonylbutanamide Traditional Name: N-(2,4-dimethylphenyl)-4-mesyl-2-phthalimido-butyramide Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(CCS(=O)(=O)C)N2C(=O)C3=CC=CC=C3C2=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(CCS(=O)(=O)C)N2C(=O)C3=CC=CC=C3C2=O)C

InChI

InChI=1S/C21H22N2O5S/c1-13-8-9-17(14(2)12-13)22-19(24)18(10-11-29(3,27)28)23-20(25)15-6-4-5-7-16(15)21(23)26/h4-9,12,18H,10-11H2,1-3H3,(H,22,24)