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

Systemtic Name: tert-butyl 4-[2-(tert-butylsulfanylmethyl)phenyl]-4-oxidanyl-piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(tert-butylsulfanylmethyl)phenyl]-4-hydroxy-piperidine-1-carboxylate CAS Name: 4-[2-[(tert-butylthio)methyl]phenyl]-4-hydroxy-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(tert-butylsulfanylmethyl)phenyl]-4-hydroxypiperidine-1-carboxylate Traditional Name: 4-[2-[(tert-butylthio)methyl]phenyl]-4-hydroxy-piperidine-1-carboxylic acid tert-butyl ester Formula: C21H33NO3S MolecularWeight: 379.55662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(C2=CC=CC=C2CSC(C)(C)C)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(C2=CC=CC=C2CSC(C)(C)C)O

InChI

InChI=1S/C21H33NO3S/c1-19(2,3)25-18(23)22-13-11-21(24,12-14-22)17-10-8-7-9-16(17)15-26-20(4,5)6/h7-10,24H,11-15H2,1-6H3