(phenylmethyl) 4-[2-(2-methylbutan-2-ylsulfanylmethyl)phenyl]-4-oxidanyl-piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[2-(2-methylbutan-2-ylsulfanylmethyl)phenyl]-4-oxidanyl-piperidine-1-carboxylate Openeye Name: benzyl 4-[2-(1,1-dimethylpropylsulfanylmethyl)phenyl]-4-hydroxy-piperidine-1-carboxylate CAS Name: 4-hydroxy-4-[2-[(2-methylbutan-2-ylthio)methyl]phenyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-hydroxy-4-[2-(2-methylbutan-2-ylsulfanylmethyl)phenyl]piperidine-1-carboxylate Traditional Name: 4-[2-[(tert-amylthio)methyl]phenyl]-4-hydroxy-piperidine-1-carboxylic acid benzyl ester Formula: C25H33NO3S MolecularWeight: 427.59942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33NO3S/c1-4-24(2,3)30-19-21-12-8-9-13-22(21)25(28)14-16-26(17-15-25)23(27)29-18-20-10-6-5-7-11-20/h5-13,28H,4,14-19H2,1-3H3