pyridin-2-ylmethyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: pyridin-2-ylmethyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: 2-pyridylmethyl 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid 2-pyridylmethyl ester Formula: C18H19FN2O4S MolecularWeight: 378.417863

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC=CC=N3)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC=CC=N3)F

InChI

InChI=1S/C18H19FN2O4S/c19-16-8-7-14(18(22)25-13-15-6-2-3-9-20-15)12-17(16)26(23,24)21-10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11,13H2