tert-butyl [3-oxidanyl-4-[4-(3-phenylsulfanylpropoxy)phenyl]piperidin-1-yl] carbonate

Systemtic Name: tert-butyl [3-oxidanyl-4-[4-(3-phenylsulfanylpropoxy)phenyl]piperidin-1-yl] carbonate Openeye Name: tert-butyl [3-hydroxy-4-[4-(3-phenylsulfanylpropoxy)phenyl]-1-piperidyl] carbonate CAS Name: carbonic acid tert-butyl [3-hydroxy-4-[4-[3-(phenylthio)propoxy]phenyl]-1-piperidinyl] ester IUPAC Name: tert-butyl [3-hydroxy-4-[4-(3-phenylsulfanylpropoxy)phenyl]piperidin-1-yl] carbonate Traditional Name: carbonic acid tert-butyl [3-hydroxy-4-[4-[3-(phenylthio)propoxy]phenyl]piperidino] ester Formula: C25H33NO5S MolecularWeight: 459.59822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)ON1CCC(C(C1)O)C2=CC=C(C=C2)OCCCSC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)ON1CCC(C(C1)O)C2=CC=C(C=C2)OCCCSC3=CC=CC=C3

InChI

InChI=1S/C25H33NO5S/c1-25(2,3)30-24(28)31-26-15-14-22(23(27)18-26)19-10-12-20(13-11-19)29-16-7-17-32-21-8-5-4-6-9-21/h4-6,8-13,22-23,27H,7,14-18H2,1-3H3