(phenylmethyl) 4-[2-(tert-butylsulfanylmethyl)phenyl]-4-oxidanyl-piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[2-(tert-butylsulfanylmethyl)phenyl]-4-oxidanyl-piperidine-1-carboxylate Openeye Name: benzyl 4-[2-(tert-butylsulfanylmethyl)phenyl]-4-hydroxy-piperidine-1-carboxylate CAS Name: 4-[2-[(tert-butylthio)methyl]phenyl]-4-hydroxy-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[2-(tert-butylsulfanylmethyl)phenyl]-4-hydroxypiperidine-1-carboxylate Traditional Name: 4-[2-[(tert-butylthio)methyl]phenyl]-4-hydroxy-piperidine-1-carboxylic acid benzyl ester Formula: C24H31NO3S MolecularWeight: 413.57284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC1=CC=CC=C1C2(CCN(CC2)C(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C)SCC1=CC=CC=C1C2(CCN(CC2)C(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C24H31NO3S/c1-23(2,3)29-18-20-11-7-8-12-21(20)24(27)13-15-25(16-14-24)22(26)28-17-19-9-5-4-6-10-19/h4-12,27H,13-18H2,1-3H3