methyl 4-[[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfonyl-butanoyl]oxymethyl]benzoate

Systemtic Name: methyl 4-[[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfonyl-butanoyl]oxymethyl]benzoate Openeye Name: methyl 4-[[2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfonyl-butanoyl]oxymethyl]benzoate CAS Name: 4-[[2-(1,3-dioxo-2-isoindolyl)-4-methylsulfonyl-1-oxobutoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonylbutanoyl]oxymethyl]benzoate Traditional Name: 4-[(4-mesyl-2-phthalimido-butanoyl)oxymethyl]benzoic acid methyl ester Formula: C22H21NO8S MolecularWeight: 459.46904

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC(=O)C(CCS(=O)(=O)C)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC(=O)C(CCS(=O)(=O)C)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H21NO8S/c1-30-21(26)15-9-7-14(8-10-15)13-31-22(27)18(11-12-32(2,28)29)23-19(24)16-5-3-4-6-17(16)20(23)25/h3-10,18H,11-13H2,1-2H3