tert-butyl [3-oxidanyl-2-[4-[3-(phenylmethylsulfanyl)propoxy]phenyl]piperidin-1-yl] carbonate

Systemtic Name: tert-butyl [3-oxidanyl-2-[4-[3-(phenylmethylsulfanyl)propoxy]phenyl]piperidin-1-yl] carbonate Openeye Name: [2-[4-(3-benzylsulfanylpropoxy)phenyl]-3-hydroxy-1-piperidyl] tert-butyl carbonate CAS Name: carbonic acid tert-butyl [3-hydroxy-2-[4-[3-(phenylmethylthio)propoxy]phenyl]-1-piperidinyl] ester IUPAC Name: [2-[4-(3-benzylsulfanylpropoxy)phenyl]-3-hydroxypiperidin-1-yl] tert-butyl carbonate Traditional Name: carbonic acid [2-[4-[3-(benzylthio)propoxy]phenyl]-3-hydroxy-piperidino] tert-butyl ester Formula: C26H35NO5S MolecularWeight: 473.6248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)ON1CCCC(C1C2=CC=C(C=C2)OCCCSCC3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C)OC(=O)ON1CCCC(C1C2=CC=C(C=C2)OCCCSCC3=CC=CC=C3)O

InChI

InChI=1S/C26H35NO5S/c1-26(2,3)31-25(29)32-27-16-7-11-23(28)24(27)21-12-14-22(15-13-21)30-17-8-18-33-19-20-9-5-4-6-10-20/h4-6,9-10,12-15,23-24,28H,7-8,11,16-19H2,1-3H3