ethyl (E)-5-[3-oxidanylidene-1-(phenylsulfonyl)-1H-isoindol-2-yl]pent-2-enoate

Systemtic Name: ethyl (E)-5-[3-oxidanylidene-1-(phenylsulfonyl)-1H-isoindol-2-yl]pent-2-enoate Openeye Name: ethyl (E)-5-[1-(benzenesulfonyl)-3-oxo-isoindolin-2-yl]pent-2-enoate CAS Name: (E)-5-[1-(benzenesulfonyl)-3-oxo-1H-isoindol-2-yl]-2-pentenoic acid ethyl ester IUPAC Name: ethyl (E)-5-[1-(benzenesulfonyl)-3-oxo-1H-isoindol-2-yl]pent-2-enoate Traditional Name: (E)-5-(1-besyl-3-keto-isoindolin-2-yl)pent-2-enoic acid ethyl ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CCCN1C(C2=CC=CC=C2C1=O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)/C=C/CCN1C(C2=CC=CC=C2C1=O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21NO5S/c1-2-27-19(23)14-8-9-15-22-20(24)17-12-6-7-13-18(17)21(22)28(25,26)16-10-4-3-5-11-16/h3-8,10-14,21H,2,9,15H2,1H3/b14-8+