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Substance Name: 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, compd. with trans-4-(((2-amino-3,5-dibromophenyl)methyl)amino)cyclohexanol (1:1)
RN: 144949-00-8
InChIKey: ZJWTWXRPHOXRJZ-PFWPSKEQSA-N

Molecular Formula

  • C13-H18-Br2-N2-O.C7-H5-N-O3-S

Molecular Weight

  • 561.2927
 
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Names and Synonyms

Synonym

  • Cyclohexanol, 4-(((2-amino-3,5-dibromophenyl)methyl)amino)-, trans-, compd. with 1,2-benzisothiazol-3(2H)-one 1,1-dioxide (1:1)

Systematic Name

  • 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, compd. with trans-4-(((2-amino-3,5-dibromophenyl)methyl)amino)cyclohexanol (1:1)

Registry Numbers

CAS Registry Number

  • 144949-00-8

System Generated Number

  • 0144949008

Molecular Formulas

Molecular Formula

  • C13-H18-Br2-N2-O.C7-H5-N-O3-S

Molecular Formula Fragments

  • C13-H18-Br2-N2-O
  • C7-H5-N-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C13H18Br2N2O.C7H5NO3S/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10;9-7-5-3-1-2-4-6(5)12(10,11)8-7/h5-6,10-11,17-18H,1-4,7,16H2;1-4H,(H,8,9)/t10-,11-;

InChIKey

ZJWTWXRPHOXRJZ-PFWPSKEQSA-N

Smiles

Nc1c(Br)cc(Br)cc1CN[C@@H]2CC[C@@H](O)CC2.O=C3NS(=O)(=O)c4ccccc34