Chem
J-GLOBAL ID:200907051539000687   Nikkaji number:J1.630.993A

2-(3-Butylcarbamoyl-5-oxo-2-pyrazoline-1-ylmethyl)benzenesulfonic acid

2-(3-ブチルカルバモイル-5-オキソ-2-ピラゾリン-1-イルメチル)ベンゼンスルホン酸
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C15H19N3O5S
Molecular formula furigana: C15-H19-N3-O5-S
Molecular weight: 353.390
InChI: InChI=1S/C15H19N3O5S/c1-2-3-8-16-15(20)12-9-14(19)18(17-12)10-11-6-4-5-7-13(11)24(21,22)23/h4-7H,2-3,8-10H2,1H3,(H,16,20)(H,21,22,23)
InChI key: JMQLIOSUIYLRDV-UHFFFAOYSA-N
SMILES: CCCCNC(=O)C1=NN(Cc2ccccc2S(=O)(=O)O)C(=O)C1
Systematic name  (3):
  • 2-(3-ブチルカルバモイル-5-オキソ-2-ピラゾリン-1-イルメチル)ベンゼンスルホン酸
  • 2-{[3-(ブチルカルバモイル)-5-オキソ-4,5-ジヒドロ-1H-ピラゾール-1-イル]メチル}ベンゼン-1-スルホン酸
  • 2-{[3-(butylcarbamoyl)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]methyl}benzene-1-sulfonic acid
Other name (1):
  • 2-(3-Butylcarbamoyl-5-oxo-2-pyrazoline-1-ylmethyl)benzenesulfonic acid
Regulation number (1):
  • 8-(2)-1564
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