(3-morpholin-4-ylsulfonylphenyl)methyl 2-(1-methylidene-3-oxidanylidene-isoindol-2-yl)ethanoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-(1-methylidene-3-oxidanylidene-isoindol-2-yl)ethanoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 2-(1-methylene-3-oxo-isoindolin-2-yl)acetate CAS Name: 2-(1-methylene-3-oxo-2-isoindolyl)acetic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate Traditional Name: 2-(1-keto-3-methylene-isoindolin-2-yl)acetic acid (3-morpholinosulfonylbenzyl) ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C2=CC=CC=C2C(=O)N1CC(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C=C1C2=CC=CC=C2C(=O)N1CC(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H22N2O6S/c1-16-19-7-2-3-8-20(19)22(26)24(16)14-21(25)30-15-17-5-4-6-18(13-17)31(27,28)23-9-11-29-12-10-23/h2-8,13H,1,9-12,14-15H2