tert-butyl 4-fluoranyl-4-[3-(4-methylphenyl)sulfonyloxy-1-phenyl-propyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-fluoranyl-4-[3-(4-methylphenyl)sulfonyloxy-1-phenyl-propyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-fluoro-4-[1-phenyl-3-(p-tolylsulfonyloxy)propyl]piperidine-1-carboxylate CAS Name: 4-fluoro-4-[3-(4-methylphenyl)sulfonyloxy-1-phenylpropyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-fluoro-4-[3-(4-methylphenyl)sulfonyloxy-1-phenylpropyl]piperidine-1-carboxylate Traditional Name: 4-fluoro-4-(1-phenyl-3-tosyloxy-propyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C26H34FNO5S MolecularWeight: 491.615263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C2=CC=CC=C2)C3(CCN(CC3)C(=O)OC(C)(C)C)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C2=CC=CC=C2)C3(CCN(CC3)C(=O)OC(C)(C)C)F

InChI

InChI=1S/C26H34FNO5S/c1-20-10-12-22(13-11-20)34(30,31)32-19-14-23(21-8-6-5-7-9-21)26(27)15-17-28(18-16-26)24(29)33-25(2,3)4/h5-13,23H,14-19H2,1-4H3