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

Systemtic Name: ethyl 1-[2-[(4-ethoxyphenyl)sulfonyl-(4-fluorophenyl)amino]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C24H29FN2O6S MolecularWeight: 492.560263

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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)OCC)C3=CC=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C24H29FN2O6S/c1-3-32-21-9-11-22(12-10-21)34(30,31)27(20-7-5-19(25)6-8-20)17-23(28)26-15-13-18(14-16-26)24(29)33-4-2/h5-12,18H,3-4,13-17H2,1-2H3