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

Systemtic Name: methyl 4-[2-(2-methylbutan-2-ylsulfanylmethyl)phenyl]-4-oxidanyl-piperidine-1-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H29NO3S MolecularWeight: 351.50346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29NO3S/c1-5-18(2,3)24-14-15-8-6-7-9-16(15)19(22)10-12-20(13-11-19)17(21)23-4/h6-9,22H,5,10-14H2,1-4H3