tert-butyl 4-butan-2-yl-2-(2-methylsulfanylphenyl)-2-oxidanyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-butan-2-yl-2-(2-methylsulfanylphenyl)-2-oxidanyl-piperidine-1-carboxylate Openeye Name: tert-butyl 2-hydroxy-2-(2-methylsulfanylphenyl)-4-sec-butyl-piperidine-1-carboxylate CAS Name: 4-butan-2-yl-2-hydroxy-2-[2-(methylthio)phenyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-butan-2-yl-2-hydroxy-2-(2-methylsulfanylphenyl)piperidine-1-carboxylate Traditional Name: 2-hydroxy-2-[2-(methylthio)phenyl]-4-sec-butyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C21H33NO3S MolecularWeight: 379.55662

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1CCN(C(C1)(C2=CC=CC=C2SC)O)C(=O)OC(C)(C)C

Isomeric SMILES

CCC(C)C1CCN(C(C1)(C2=CC=CC=C2SC)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H33NO3S/c1-7-15(2)16-12-13-22(19(23)25-20(3,4)5)21(24,14-16)17-10-8-9-11-18(17)26-6/h8-11,15-16,24H,7,12-14H2,1-6H3