(1-oxidanylpiperidin-4-yl)methyl 4-[(2-tert-butylsulfanylphenyl)methyl]piperazine-1-carboxylate

Systemtic Name: (1-oxidanylpiperidin-4-yl)methyl 4-[(2-tert-butylsulfanylphenyl)methyl]piperazine-1-carboxylate Openeye Name: (1-hydroxy-4-piperidyl)methyl 4-[(2-tert-butylsulfanylphenyl)methyl]piperazine-1-carboxylate CAS Name: 4-[[2-(tert-butylthio)phenyl]methyl]-1-piperazinecarboxylic acid (1-hydroxy-4-piperidinyl)methyl ester IUPAC Name: (1-hydroxypiperidin-4-yl)methyl 4-[(2-tert-butylsulfanylphenyl)methyl]piperazine-1-carboxylate Traditional Name: 4-[2-(tert-butylthio)benzyl]piperazine-1-carboxylic acid (1-hydroxy-4-piperidyl)methyl ester Formula: C22H35N3O3S MolecularWeight: 421.5966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=CC=CC=C1CN2CCN(CC2)C(=O)OCC3CCN(CC3)O

Isomeric SMILES

CC(C)(C)SC1=CC=CC=C1CN2CCN(CC2)C(=O)OCC3CCN(CC3)O

InChI

InChI=1S/C22H35N3O3S/c1-22(2,3)29-20-7-5-4-6-19(20)16-23-12-14-24(15-13-23)21(26)28-17-18-8-10-25(27)11-9-18/h4-7,18,27H,8-17H2,1-3H3