methyl 1-[2-[(4-ethoxyphenyl)sulfonyl-(4-fluorophenyl)amino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(4-ethoxyphenyl)sulfonyl-(4-fluorophenyl)amino]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoro-anilino)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(4-fluoro-N-p-phenetylsulfonyl-anilino)acetyl]isonipecotic acid methyl ester Formula: C23H27FN2O6S MolecularWeight: 478.533683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCC(CC2)C(=O)OC)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCC(CC2)C(=O)OC)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H27FN2O6S/c1-3-32-20-8-10-21(11-9-20)33(29,30)26(19-6-4-18(24)5-7-19)16-22(27)25-14-12-17(13-15-25)23(28)31-2/h4-11,17H,3,12-16H2,1-2H3