2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid 2-phthalimidoethyl ester Formula: C22H21FN2O6S MolecularWeight: 460.475343

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O)F

InChI

InChI=1S/C22H21FN2O6S/c23-18-9-8-15(14-19(18)32(29,30)24-10-4-1-5-11-24)22(28)31-13-12-25-20(26)16-6-2-3-7-17(16)21(25)27/h2-3,6-9,14H,1,4-5,10-13H2