4IH

~{N}-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propyl]methanesulfonamide

Created:2016-12-14
Last modified:  2017-05-24

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Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count0
Bond Count45
Aromatic Bond Count12
2D diagram of 4IH

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Chemical Component Summary

Name~{N}-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propyl]methanesulfonamide
Systematic Name (OpenEye OEToolkits)~{N}-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propyl]methanesulfonamide
FormulaC17 H21 Cl N2 O2 S
Molecular Weight352.879
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385C[S](=O)(=O)NCCCNCc1ccc(c(Cl)c1)c2ccccc2
SMILESOpenEye OEToolkits2.0.6CS(=O)(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2
Canonical SMILESCACTVS3.385 C[S](=O)(=O)NCCCNCc1ccc(c(Cl)c1)c2ccccc2
Canonical SMILESOpenEye OEToolkits2.0.6 CS(=O)(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2
InChIInChI1.03 InChI=1S/C17H21ClN2O2S/c1-23(21,22)20-11-5-10-19-13-14-8-9-16(17(18)12-14)15-6-3-2-4-7-15/h2-4,6-9,12,19-20H,5,10-11,13H2,1H3
InChIKeyInChI1.03 LUZVYKGXPCFBGZ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 126970796
ChEMBL CHEMBL4117684