2-(3,5-dimethylphenoxy)ethyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfonyl-butanoate

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfonyl-butanoate Openeye Name: 2-(3,5-dimethylphenoxy)ethyl 2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfonyl-butanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-methylsulfonylbutanoic acid 2-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonylbutanoate Traditional Name: 4-mesyl-2-phthalimido-butyric acid 2-(3,5-dimethylphenoxy)ethyl ester Formula: C23H25NO7S MolecularWeight: 459.5121

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO7S/c1-15-12-16(2)14-17(13-15)30-9-10-31-23(27)20(8-11-32(3,28)29)24-21(25)18-6-4-5-7-19(18)22(24)26/h4-7,12-14,20H,8-11H2,1-3H3