methyl 1-[2-(4-fluoranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonyloxyethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(4-fluoranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonyloxyethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[4-fluoro-3-(1-piperidylsulfonyl)benzoyl]oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[4-fluoro-3-(1-piperidinylsulfonyl)phenyl]-oxomethoxy]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(4-fluoro-3-piperidinosulfonyl-benzoyl)oxyacetyl]isonipecotic acid methyl ester Formula: C21H27FN2O7S MolecularWeight: 470.511683

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H27FN2O7S/c1-30-20(26)15-7-11-23(12-8-15)19(25)14-31-21(27)16-5-6-17(22)18(13-16)32(28,29)24-9-3-2-4-10-24/h5-6,13,15H,2-4,7-12,14H2,1H3