tert-butyl 4-[4-(3-fluoranyl-4-methylsulfanyl-phenyl)-1-oxidanyl-butyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(3-fluoranyl-4-methylsulfanyl-phenyl)-1-oxidanyl-butyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(3-fluoro-4-methylsulfanyl-phenyl)-1-hydroxy-butyl]piperidine-1-carboxylate CAS Name: 4-[4-[3-fluoro-4-(methylthio)phenyl]-1-hydroxybutyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(3-fluoro-4-methylsulfanylphenyl)-1-hydroxybutyl]piperidine-1-carboxylate Traditional Name: 4-[4-[3-fluoro-4-(methylthio)phenyl]-1-hydroxy-butyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H32FNO3S MolecularWeight: 397.547083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(CCCC2=CC(=C(C=C2)SC)F)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(CCCC2=CC(=C(C=C2)SC)F)O

InChI

InChI=1S/C21H32FNO3S/c1-21(2,3)26-20(25)23-12-10-16(11-13-23)18(24)7-5-6-15-8-9-19(27-4)17(22)14-15/h8-9,14,16,18,24H,5-7,10-13H2,1-4H3