ethyl 1-[2-[(3-chloranyl-4-fluoranyl-phenyl)-methylsulfonyl-amino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[(3-chloranyl-4-fluoranyl-phenyl)-methylsulfonyl-amino]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(3-chloro-4-fluoro-N-methylsulfonyl-anilino)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(3-chloro-4-fluoro-N-mesyl-anilino)acetyl]isonipecotic acid ethyl ester Formula: C17H22ClFN2O5S MolecularWeight: 420.883383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CN(C2=CC(=C(C=C2)F)Cl)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CN(C2=CC(=C(C=C2)F)Cl)S(=O)(=O)C

InChI

InChI=1S/C17H22ClFN2O5S/c1-3-26-17(23)12-6-8-20(9-7-12)16(22)11-21(27(2,24)25)13-4-5-15(19)14(18)10-13/h4-5,10,12H,3,6-9,11H2,1-2H3