ethyl 1-[2-[(2-fluorophenyl)-(4-methylphenyl)sulfonyl-amino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[(2-fluorophenyl)-(4-methylphenyl)sulfonyl-amino]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[2-fluoro-N-(p-tolylsulfonyl)anilino]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(2-fluoro-N-tosyl-anilino)acetyl]isonipecotic acid ethyl ester Formula: C23H27FN2O5S MolecularWeight: 462.534283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CN(C2=CC=CC=C2F)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CN(C2=CC=CC=C2F)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H27FN2O5S/c1-3-31-23(28)18-12-14-25(15-13-18)22(27)16-26(21-7-5-4-6-20(21)24)32(29,30)19-10-8-17(2)9-11-19/h4-11,18H,3,12-16H2,1-2H3