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Substance Name: 4-Piperidinecarbonitrile, 3-methyl-1-((4-methylphenyl)sulfonyl)-4-phenyl-, (3R,4S)-rel-
RN: 25858-24-6
InChIKey: XFZXKHZEHPBOOY-PXNSSMCTSA-N

Molecular Formula

  • C20-H22-N2-O2-S

Molecular Weight

  • 354.472
 
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Names and Synonyms

Synonym

  • EC 607-821-9

Systematic Names

  • (+-)-trans-3-Methyl-1-((4-methylphenyl)sulfonyl)-4-phenylpiperidine-4-carbonitrile
  • 4-Piperidinecarbonitrile, 3-methyl-1-((4-methylphenyl)sulfonyl)-4-phenyl-, (3R,4S)-rel-

Registry Numbers

CAS Registry Number

  • 25858-24-6

System Generated Number

  • 0025858246

Structure Descriptors

InChI

1S/C20H22N2O2S/c1-16-8-10-19(11-9-16)25(23,24)22-13-12-20(15-21,17(2)14-22)18-6-4-3-5-7-18/h3-11,17H,12-14H2,1-2H3/t17-,20-/m0/s1

InChIKey

XFZXKHZEHPBOOY-PXNSSMCTSA-N

Smiles

C1[N@@](CC[C@@]([C@H]1C)(C#N)c1ccccc1)S(=O)(=O)c1ccc(cc1)C