[2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(5-fluoro-2-methoxy-phenyl)-2-oxo-ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-mesitylsulfonylisonipecotic acid [2-(5-fluoro-2-methoxy-phenyl)-2-keto-ethyl] ester Formula: C24H28FNO6S MolecularWeight: 477.545623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)C3=C(C=CC(=C3)F)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)C3=C(C=CC(=C3)F)OC)C

InChI

InChI=1S/C24H28FNO6S/c1-15-11-16(2)23(17(3)12-15)33(29,30)26-9-7-18(8-10-26)24(28)32-14-21(27)20-13-19(25)5-6-22(20)31-4/h5-6,11-13,18H,7-10,14H2,1-4H3