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

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl 4-methylbenzenesulfonate Openeye Name: 3-(1,3-dioxoisoindolin-2-yl)propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-(1,3-dioxo-2-isoindolyl)propyl ester IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-phthalimidopropyl ester Formula: C18H17NO5S MolecularWeight: 359.39628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H17NO5S/c1-13-7-9-14(10-8-13)25(22,23)24-12-4-11-19-17(20)15-5-2-3-6-16(15)18(19)21/h2-3,5-10H,4,11-12H2,1H3