tert-butyl 4-[1-oxidanyl-1-(4-propan-2-ylsulfanylphenyl)ethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-oxidanyl-1-(4-propan-2-ylsulfanylphenyl)ethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[1-hydroxy-1-(4-isopropylsulfanylphenyl)ethyl]piperidine-1-carboxylate CAS Name: 4-[1-hydroxy-1-[4-(propan-2-ylthio)phenyl]ethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-hydroxy-1-(4-propan-2-ylsulfanylphenyl)ethyl]piperidine-1-carboxylate Traditional Name: 4-[1-hydroxy-1-[4-(isopropylthio)phenyl]ethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H33NO3S MolecularWeight: 379.55662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=C(C=C1)C(C)(C2CCN(CC2)C(=O)OC(C)(C)C)O

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)C(C)(C2CCN(CC2)C(=O)OC(C)(C)C)O

InChI

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