[2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(5-fluoro-2-methoxy-phenyl)-2-oxo-ethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-tert-butylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-tert-butylphenyl)sulfonylisonipecotic acid [2-(5-fluoro-2-methoxy-phenyl)-2-keto-ethyl] ester Formula: C25H30FNO6S MolecularWeight: 491.572203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30FNO6S/c1-25(2,3)18-5-8-20(9-6-18)34(30,31)27-13-11-17(12-14-27)24(29)33-16-22(28)21-15-19(26)7-10-23(21)32-4/h5-10,15,17H,11-14,16H2,1-4H3