(2S,5S,6R)-6-methoxy-2-methyl-1-(4-methylphenyl)sulfonyl-5-phenylsulfanyl-piperidin-3-one

Systemtic Name: (2S,5S,6R)-6-methoxy-2-methyl-1-(4-methylphenyl)sulfonyl-5-phenylsulfanyl-piperidin-3-one Openeye Name: (2S,5S,6R)-6-methoxy-2-methyl-5-phenylsulfanyl-1-(p-tolylsulfonyl)piperidin-3-one CAS Name: (2S,5S,6R)-6-methoxy-2-methyl-1-(4-methylphenyl)sulfonyl-5-(phenylthio)-3-piperidinone IUPAC Name: (2S,5S,6R)-6-methoxy-2-methyl-1-(4-methylphenyl)sulfonyl-5-phenylsulfanylpiperidin-3-one Traditional Name: (2S,5S,6R)-6-methoxy-2-methyl-5-(phenylthio)-1-tosyl-3-piperidone Formula: C20H23NO4S2 MolecularWeight: 405.53092

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)CC(C(N1S(=O)(=O)C2=CC=C(C=C2)C)OC)SC3=CC=CC=C3

Isomeric SMILES

C[C@H]1C(=O)C[C@@H]([C@H](N1S(=O)(=O)C2=CC=C(C=C2)C)OC)SC3=CC=CC=C3

InChI

InChI=1S/C20H23NO4S2/c1-14-9-11-17(12-10-14)27(23,24)21-15(2)18(22)13-19(20(21)25-3)26-16-7-5-4-6-8-16/h4-12,15,19-20H,13H2,1-3H3/t15-,19-,20+/m0/s1