[5-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-cyano-6-fluoranyl-hexyl] methanesulfonate

Systemtic Name: [5-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-cyano-6-fluoranyl-hexyl] methanesulfonate Openeye Name: [5-cyano-5-(1,3-dioxoisoindolin-2-yl)-6-fluoro-hexyl] methanesulfonate CAS Name: methanesulfonic acid [5-cyano-5-(1,3-dioxo-2-isoindolyl)-6-fluorohexyl] ester IUPAC Name: [5-cyano-5-(1,3-dioxoisoindol-2-yl)-6-fluorohexyl] methanesulfonate Traditional Name: methanesulfonic acid (5-cyano-6-fluoro-5-phthalimido-hexyl) ester Formula: C16H17FN2O5S MolecularWeight: 368.379983

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCCC(CF)(C#N)N1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CS(=O)(=O)OCCCCC(CF)(C#N)N1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C16H17FN2O5S/c1-25(22,23)24-9-5-4-8-16(10-17,11-18)19-14(20)12-6-2-3-7-13(12)15(19)21/h2-3,6-7H,4-5,8-10H2,1H3