4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-[(4-methoxyphenyl)sulfonylmethyl]butanoic acid

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-[(4-methoxyphenyl)sulfonylmethyl]butanoic acid Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)-2-[(4-methoxyphenyl)sulfonylmethyl]butanoic acid CAS Name: 4-(1,3-dioxo-2-isoindolyl)-2-[(4-methoxyphenyl)sulfonylmethyl]butanoic acid IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)-2-[(4-methoxyphenyl)sulfonylmethyl]butanoic acid Traditional Name: 2-[(4-methoxyphenyl)sulfonylmethyl]-4-phthalimido-butyric acid Formula: C20H19NO7S MolecularWeight: 417.43236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)CC(CCN2C(=O)C3=CC=CC=C3C2=O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)CC(CCN2C(=O)C3=CC=CC=C3C2=O)C(=O)O

InChI

InChI=1S/C20H19NO7S/c1-28-14-6-8-15(9-7-14)29(26,27)12-13(20(24)25)10-11-21-18(22)16-4-2-3-5-17(16)19(21)23/h2-9,13H,10-12H2,1H3,(H,24,25)