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

Systemtic Name: pyridin-3-ylmethyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: 3-pyridylmethyl 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid 3-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=CN=CC=C3)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CN=CC=C3)F

InChI

InChI=1S/C18H19FN2O4S/c19-16-7-6-15(18(22)25-13-14-5-4-8-20-12-14)11-17(16)26(23,24)21-9-2-1-3-10-21/h4-8,11-12H,1-3,9-10,13H2