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

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid phthalimidomethyl ester Formula: C21H19FN2O6S MolecularWeight: 446.448763

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O)F

InChI

InChI=1S/C21H19FN2O6S/c22-17-9-8-14(12-18(17)31(28,29)23-10-4-1-5-11-23)21(27)30-13-24-19(25)15-6-2-3-7-16(15)20(24)26/h2-3,6-9,12H,1,4-5,10-11,13H2