[(2R)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [(2R)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [(1R)-2-(4-fluoroanilino)-1-methyl-2-oxo-ethyl] 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-ethoxyphenyl)sulfonyl-4-piperidinecarboxylic acid [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-p-phenetylsulfonylisonipecotic acid [(1R)-2-(4-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H27FN2O6S MolecularWeight: 478.533683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)O[C@H](C)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C23H27FN2O6S/c1-3-31-20-8-10-21(11-9-20)33(29,30)26-14-12-17(13-15-26)23(28)32-16(2)22(27)25-19-6-4-18(24)5-7-19/h4-11,16-17H,3,12-15H2,1-2H3,(H,25,27)/t16-/m1/s1