[(2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-2-(1,3-dioxoisoindolin-2-yl)-3-phenyl-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-2-(1,3-dioxo-2-isoindolyl)-3-phenylpropyl] ester IUPAC Name: [(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-3-phenyl-2-phthalimido-propyl] ester Formula: C24H21NO5S MolecularWeight: 435.49224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C24H21NO5S/c1-17-11-13-20(14-12-17)31(28,29)30-16-19(15-18-7-3-2-4-8-18)25-23(26)21-9-5-6-10-22(21)24(25)27/h2-14,19H,15-16H2,1H3/t19-/m0/s1