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

Systemtic Name: ethyl 1-[2-[(4-fluorophenyl)-(phenylsulfonyl)amino]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[N-(benzenesulfonyl)-4-fluoro-anilino]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[N-(benzenesulfonyl)-4-fluoroanilino]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[N-(benzenesulfonyl)-4-fluoroanilino]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(N-besyl-4-fluoro-anilino)acetyl]isonipecotic acid ethyl ester Formula: C22H25FN2O5S MolecularWeight: 448.507703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN2O5S/c1-2-30-22(27)17-12-14-24(15-13-17)21(26)16-25(19-10-8-18(23)9-11-19)31(28,29)20-6-4-3-5-7-20/h3-11,17H,2,12-16H2,1H3