tert-butyl 4-(hydroxymethyl)-4-(3-methylphenyl)sulfanyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(hydroxymethyl)-4-(3-methylphenyl)sulfanyl-piperidine-1-carboxylate Openeye Name: tert-butyl 4-(hydroxymethyl)-4-(m-tolylsulfanyl)piperidine-1-carboxylate CAS Name: 4-(hydroxymethyl)-4-[(3-methylphenyl)thio]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(hydroxymethyl)-4-(3-methylphenyl)sulfanylpiperidine-1-carboxylate Traditional Name: 4-methylol-4-(m-tolylthio)piperidine-1-carboxylic acid tert-butyl ester Formula: C18H27NO3S MolecularWeight: 337.47688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SC2(CCN(CC2)C(=O)OC(C)(C)C)CO

Isomeric SMILES

CC1=CC(=CC=C1)SC2(CCN(CC2)C(=O)OC(C)(C)C)CO

InChI

InChI=1S/C18H27NO3S/c1-14-6-5-7-15(12-14)23-18(13-20)8-10-19(11-9-18)16(21)22-17(2,3)4/h5-7,12,20H,8-11,13H2,1-4H3