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

Systemtic Name: methyl 1-[2-[(3-chloranyl-4-fluoranyl-phenyl)-methylsulfonyl-amino]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C16H20ClFN2O5S MolecularWeight: 406.856803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClFN2O5S/c1-25-16(22)11-5-7-19(8-6-11)15(21)10-20(26(2,23)24)12-3-4-14(18)13(17)9-12/h3-4,9,11H,5-8,10H2,1-2H3