(4-propylsulfonylphenyl)methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate

Systemtic Name: (4-propylsulfonylphenyl)methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: (4-propylsulfonylphenyl)methyl 2-(1,3-dioxoisoindolin-2-yl)acetate CAS Name: 2-(1,3-dioxo-2-isoindolyl)acetic acid (4-propylsulfonylphenyl)methyl ester IUPAC Name: (4-propylsulfonylphenyl)methyl 2-(1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-phthalimidoacetic acid (4-propylsulfonylbenzyl) ester Formula: C20H19NO6S MolecularWeight: 401.43296

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CC=C(C=C1)COC(=O)CN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCS(=O)(=O)C1=CC=C(C=C1)COC(=O)CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H19NO6S/c1-2-11-28(25,26)15-9-7-14(8-10-15)13-27-18(22)12-21-19(23)16-5-3-4-6-17(16)20(21)24/h3-10H,2,11-13H2,1H3