[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C18H19FN2O5S MolecularWeight: 394.417263

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C3=CC=CN3)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C3=CC=CN3)F

InChI

InChI=1S/C18H19FN2O5S/c19-14-7-6-13(18(23)26-12-16(22)15-5-4-8-20-15)11-17(14)27(24,25)21-9-2-1-3-10-21/h4-8,11,20H,1-3,9-10,12H2