(phenylmethyl) 4-(4-chloranyl-2-methylsulfanyl-phenyl)-4-oxidanyl-piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(4-chloranyl-2-methylsulfanyl-phenyl)-4-oxidanyl-piperidine-1-carboxylate Openeye Name: benzyl 4-(4-chloro-2-methylsulfanyl-phenyl)-4-hydroxy-piperidine-1-carboxylate CAS Name: 4-[4-chloro-2-(methylthio)phenyl]-4-hydroxy-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(4-chloro-2-methylsulfanylphenyl)-4-hydroxypiperidine-1-carboxylate Traditional Name: 4-[4-chloro-2-(methylthio)phenyl]-4-hydroxy-piperidine-1-carboxylic acid benzyl ester Formula: C20H22ClNO3S MolecularWeight: 391.91158

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=C1)Cl)C2(CCN(CC2)C(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

CSC1=C(C=CC(=C1)Cl)C2(CCN(CC2)C(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C20H22ClNO3S/c1-26-18-13-16(21)7-8-17(18)20(24)9-11-22(12-10-20)19(23)25-14-15-5-3-2-4-6-15/h2-8,13,24H,9-12,14H2,1H3