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

Systemtic Name: methyl 3-[[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfonyl-butanoyl]amino]benzoate Openeye Name: methyl 3-[[2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfonyl-butanoyl]amino]benzoate CAS Name: 3-[[2-(1,3-dioxo-2-isoindolyl)-4-methylsulfonyl-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonylbutanoyl]amino]benzoate Traditional Name: 3-[(4-mesyl-2-phthalimido-butanoyl)amino]benzoic acid methyl ester Formula: C21H20N2O7S MolecularWeight: 444.4577

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O7S/c1-30-21(27)13-6-5-7-14(12-13)22-18(24)17(10-11-31(2,28)29)23-19(25)15-8-3-4-9-16(15)20(23)26/h3-9,12,17H,10-11H2,1-2H3,(H,22,24)