tert-butyl 4-[2,6-bis(fluoranyl)phenyl]sulfanylpiperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2,6-bis(fluoranyl)phenyl]sulfanylpiperidine-1-carboxylate Openeye Name: tert-butyl 4-(2,6-difluorophenyl)sulfanylpiperidine-1-carboxylate CAS Name: 4-[(2,6-difluorophenyl)thio]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2,6-difluorophenyl)sulfanylpiperidine-1-carboxylate Traditional Name: 4-[(2,6-difluorophenyl)thio]piperidine-1-carboxylic acid tert-butyl ester Formula: C16H21F2NO2S MolecularWeight: 329.405246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)SC2=C(C=CC=C2F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)SC2=C(C=CC=C2F)F

InChI

InChI=1S/C16H21F2NO2S/c1-16(2,3)21-15(20)19-9-7-11(8-10-19)22-14-12(17)5-4-6-13(14)18/h4-6,11H,7-10H2,1-3H3