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

Systemtic Name: tert-butyl 4-[2-(2-methylbutan-2-ylsulfanylmethyl)phenyl]-4-oxidanyl-piperidine-1-carboxylate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C22H35NO3S MolecularWeight: 393.5832

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)SCC1=CC=CC=C1C2(CCN(CC2)C(=O)OC(C)(C)C)O

Isomeric SMILES

CCC(C)(C)SCC1=CC=CC=C1C2(CCN(CC2)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C22H35NO3S/c1-7-21(5,6)27-16-17-10-8-9-11-18(17)22(25)12-14-23(15-13-22)19(24)26-20(2,3)4/h8-11,25H,7,12-16H2,1-6H3