tert-butyl 4-[2-[4-(4-methylsulfanylphenyl)-4-oxidanyl-piperidin-1-yl]ethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[4-(4-methylsulfanylphenyl)-4-oxidanyl-piperidin-1-yl]ethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[4-hydroxy-4-(4-methylsulfanylphenyl)-1-piperidyl]ethyl]piperidine-1-carboxylate CAS Name: 4-[2-[4-hydroxy-4-[4-(methylthio)phenyl]-1-piperidinyl]ethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[4-hydroxy-4-(4-methylsulfanylphenyl)piperidin-1-yl]ethyl]piperidine-1-carboxylate Traditional Name: 4-[2-[4-hydroxy-4-[4-(methylthio)phenyl]piperidino]ethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C24H38N2O3S MolecularWeight: 434.63512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CCN2CCC(CC2)(C3=CC=C(C=C3)SC)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCN2CCC(CC2)(C3=CC=C(C=C3)SC)O

InChI

InChI=1S/C24H38N2O3S/c1-23(2,3)29-22(27)26-15-10-19(11-16-26)9-14-25-17-12-24(28,13-18-25)20-5-7-21(30-4)8-6-20/h5-8,19,28H,9-18H2,1-4H3