WW7

N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDE

Created:1999-07-08
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count0
Bond Count44
Aromatic Bond Count11
2D diagram of WW7

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Chemical Component Summary

NameN-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDE
Systematic Name (OpenEye OEToolkits)N-(6-aminohexyl)-5-chloro-naphthalene-1-sulfonamide
FormulaC16 H21 Cl N2 O2 S
Molecular Weight340.868
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(c1cccc2c1cccc2Cl)NCCCCCCN
SMILESCACTVS3.341NCCCCCCN[S](=O)(=O)c1cccc2c(Cl)cccc12
SMILESOpenEye OEToolkits1.5.0c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCCN
Canonical SMILESCACTVS3.341 NCCCCCCN[S](=O)(=O)c1cccc2c(Cl)cccc12
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCCN
InChIInChI1.03 InChI=1S/C16H21ClN2O2S/c17-15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)19-12-4-2-1-3-11-18/h5-10,19H,1-4,11-12,18H2
InChIKeyInChI1.03 IDEHCMNLNCJQST-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB04513 
NameN-(6-Aminohexyl)-5-Chloro-1-Naphthalenesulfonamide
Groups experimental
SynonymsN-(6-Aminohexyl)-5-Chloro-1-Naphthalenesulfonamide
Categories
  • Amides
  • Calcium-Calmodulin-Dependent Protein Kinases, antagonists & inhibitors
  • Cardiovascular Agents
  • Enzyme Inhibitors
  • Sulfones

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Troponin C, slow skeletal and cardiac musclesMDDIYKAAVEQLTEEQKNEFKAAFDIFVLGAEDGCISTKELGKVMRMLGQ...unknown
Troponin I, cardiac muscleMADGSSDAAREPRPAPAPIRRRSSNYRAYATEPHAKKKSKISASRKLQLK...unknown
CalmodulinMADQLTEEQIAEFKEAFSLFDKDGDGTITTKELGTVMRSLGQNPTEAELQ...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL41631
PubChem 5681
ChEMBL CHEMBL41631
CCDC/CSD RAYLOT