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Substance Name: 7-Benzothiazolesulfonic acid, 2-(4-((2-cyanoacetyl)amino)phenyl)-6-methyl-, sodium salt (1:1)
RN: 6764-27-8
InChIKey: FVBBIANRIRKAOK-UHFFFAOYSA-M

Molecular Formula

  • C17-H13-N3-O4-S2.Na

Molecular Weight

  • 409.421
 
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Names and Synonyms

Synonym

  • EINECS 229-823-5

Systematic Names

  • 7-Benzothiazolesulfonic acid, 2-(4-((2-cyanoacetyl)amino)phenyl)-6-methyl-, sodium salt (1:1)
  • 7-Benzothiazolesulfonic acid, 2-(4-((cyanoacetyl)amino)phenyl)-6-methyl-, monosodium salt
  • Sodium 2-(4-(2-cyanoacetamido)phenyl)-6-methylbenzothiazole-7-sulphonate

Registry Numbers

CAS Registry Number

  • 6764-27-8

System Generated Number

  • 0006764278

Molecular Formulas

Molecular Formula

  • C17-H13-N3-O4-S2.Na

Molecular Formula Fragments

  • C17-H13-N3-O4-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C17H13N3O4S2.Na/c1-10-2-7-13-15(16(10)26(22,23)24)25-17(20-13)11-3-5-12(6-4-11)19-14(21)8-9-18;/h2-7H,8H2,1H3,(H,19,21)(H,22,23,24);/q;+1/p-1

InChIKey

FVBBIANRIRKAOK-UHFFFAOYSA-M

Smiles

c12c(S(=O)(=O)[O-])c(C)ccc2nc(s1)c1ccc(NC(CC#N)=O)cc1.[Na+]