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Substance Name: Benzeneacetonitrile, alpha-(2-(phenylsulfonyl)ethyl)-
RN: 41932-79-0
InChIKey: VWVXUOFEHOYMIQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H15-N-O2-S

Molecular Weight

  • 285.3655
 
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Names and Synonyms

Synonyms

  • 1-Phenyl-4-(benzenesulfonyl)butyronitrile
  • alpha-(2-(Phenylsulfonyl)ethyl)benzeneacetonitrile
  • BRN 2992057

Systematic Name

  • Benzeneacetonitrile, alpha-(2-(phenylsulfonyl)ethyl)-

Registry Numbers

CAS Registry Number

  • 41932-79-0

System Generated Number

  • 0041932790

Structure Descriptors

InChI

1S/C16H15NO2S/c17-13-15(14-7-3-1-4-8-14)11-12-20(18,19)16-9-5-2-6-10-16/h1-10,15H,11-12H2

InChIKey

VWVXUOFEHOYMIQ-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C(CCS(=O)(=O)c2ccccc2)C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2500mg/kg (2500mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 37, Pg. 3808, 1972.