tert-butyl 4-[2-(4-methylphenyl)sulfanylphenyl]-4-oxidanyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(4-methylphenyl)sulfanylphenyl]-4-oxidanyl-piperidine-1-carboxylate Openeye Name: tert-butyl 4-hydroxy-4-[2-(p-tolylsulfanyl)phenyl]piperidine-1-carboxylate CAS Name: 4-hydroxy-4-[2-[(4-methylphenyl)thio]phenyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-hydroxy-4-[2-(4-methylphenyl)sulfanylphenyl]piperidine-1-carboxylate Traditional Name: 4-hydroxy-4-[2-(p-tolylthio)phenyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H29NO3S MolecularWeight: 399.54626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC=CC=C2C3(CCN(CC3)C(=O)OC(C)(C)C)O

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC=CC=C2C3(CCN(CC3)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C23H29NO3S/c1-17-9-11-18(12-10-17)28-20-8-6-5-7-19(20)23(26)13-15-24(16-14-23)21(25)27-22(2,3)4/h5-12,26H,13-16H2,1-4H3