(phenylmethyl) 4-[2,4-bis(methylsulfanyl)phenyl]-4-oxidanyl-piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[2,4-bis(methylsulfanyl)phenyl]-4-oxidanyl-piperidine-1-carboxylate Openeye Name: benzyl 4-[2,4-bis(methylsulfanyl)phenyl]-4-hydroxy-piperidine-1-carboxylate CAS Name: 4-[2,4-bis(methylthio)phenyl]-4-hydroxy-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[2,4-bis(methylsulfanyl)phenyl]-4-hydroxypiperidine-1-carboxylate Traditional Name: 4-[2,4-bis(methylthio)phenyl]-4-hydroxy-piperidine-1-carboxylic acid benzyl ester Formula: C21H25NO3S2 MolecularWeight: 403.5581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO3S2/c1-26-17-8-9-18(19(14-17)27-2)21(24)10-12-22(13-11-21)20(23)25-15-16-6-4-3-5-7-16/h3-9,14,24H,10-13,15H2,1-2H3