[3-[4,4-bis(fluoranyl)piperidin-1-yl]cyclobutyl] 4-methylbenzenesulfonate

Systemtic Name: [3-[4,4-bis(fluoranyl)piperidin-1-yl]cyclobutyl] 4-methylbenzenesulfonate Openeye Name: [3-(4,4-difluoro-1-piperidyl)cyclobutyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(4,4-difluoro-1-piperidinyl)cyclobutyl] ester IUPAC Name: [3-(4,4-difluoropiperidin-1-yl)cyclobutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(4,4-difluoropiperidino)cyclobutyl] ester Formula: C16H21F2NO3S MolecularWeight: 345.404646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CC(C2)N3CCC(CC3)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CC(C2)N3CCC(CC3)(F)F

InChI

InChI=1S/C16H21F2NO3S/c1-12-2-4-15(5-3-12)23(20,21)22-14-10-13(11-14)19-8-6-16(17,18)7-9-19/h2-5,13-14H,6-11H2,1H3