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Substance Name: Formic acid, compd. with 2-(2-((4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulfonyl)ethoxy)-N,N-dimethyl-1-propanamine (1:1)
RN: 68400-01-1
InChIKey: HQUNJTQGOYQYMO-UHFFFAOYSA-N

Molecular Formula

  • C22-H28-Cl-N3-O3-S.C-H2-O2

Molecular Weight

  • 496.025
 
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Names and Synonyms

Synonym

  • EINECS 270-007-3

Systematic Names

  • Formic acid, compd. with 2-(2-((4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulfonyl)ethoxy)-N,N-dimethyl-1-propanamine (1:1)
  • Formic acid, compound with (2-(2-((4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulphonyl)ethoxy)propyl)dimethylamine (1:1)

Registry Numbers

CAS Registry Number

  • 68400-01-1

System Generated Number

  • 0068400011

Molecular Formulas

Molecular Formula

  • C22-H28-Cl-N3-O3-S.C-H2-O2

Molecular Formula Fragments

  • C-H2-O2
  • C22-H28-Cl-N3-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C22H28ClN3O3S.CH2O2/c1-17(16-25(2)3)29-14-15-30(27,28)21-10-8-20(9-11-21)26-13-12-22(24-26)18-4-6-19(23)7-5-18;2-1-3/h4-11,17H,12-16H2,1-3H3;1H,(H,2,3)

InChIKey

HQUNJTQGOYQYMO-UHFFFAOYSA-N

Smiles

N1(N=C(c2ccc(Cl)cc2)CC1)c1ccc(S(=O)(=O)CCO[C@@H](C)CN(C)C)cc1.OC=O