[1,3-bis(oxidanylidene)-5-(3-phenylpropanoylamino)isoindol-2-yl] methanesulfonate

Systemtic Name: [1,3-bis(oxidanylidene)-5-(3-phenylpropanoylamino)isoindol-2-yl] methanesulfonate Openeye Name: [1,3-dioxo-5-(3-phenylpropanoylamino)isoindolin-2-yl] methanesulfonate CAS Name: methanesulfonic acid [1,3-dioxo-5-[(1-oxo-3-phenylpropyl)amino]-2-isoindolyl] ester IUPAC Name: [1,3-dioxo-5-(3-phenylpropanoylamino)isoindol-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [5-(hydrocinnamoylamino)-1,3-diketo-isoindolin-2-yl] ester Formula: C18H16N2O6S MolecularWeight: 388.39444

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)ON1C(=O)C2=C(C1=O)C=C(C=C2)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)ON1C(=O)C2=C(C1=O)C=C(C=C2)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C18H16N2O6S/c1-27(24,25)26-20-17(22)14-9-8-13(11-15(14)18(20)23)19-16(21)10-7-12-5-3-2-4-6-12/h2-6,8-9,11H,7,10H2,1H3,(H,19,21)