(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (1-methyl-2-morpholino-2-oxo-ethyl) 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid [1-(4-morpholinyl)-1-oxopropan-2-yl] ester IUPAC Name: (1-morpholin-4-yl-1-oxopropan-2-yl) 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid (2-keto-1-methyl-2-morpholino-ethyl) ester Formula: C19H25FN2O6S MolecularWeight: 428.475003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCOCC1)OC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C(=O)N1CCOCC1)OC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H25FN2O6S/c1-14(18(23)21-9-11-27-12-10-21)28-19(24)15-5-6-16(20)17(13-15)29(25,26)22-7-3-2-4-8-22/h5-6,13-14H,2-4,7-12H2,1H3