MEY

N-{[1-(5-chloro-2,4-dihydroxyphenyl)-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]methyl}naphthalene-1-sulfonamide

Created:2010-09-21
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count52
Chiral Atom Count0
Bond Count56
Aromatic Bond Count23
2D diagram of MEY

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Chemical Component Summary

NameN-{[1-(5-chloro-2,4-dihydroxyphenyl)-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]methyl}naphthalene-1-sulfonamide
Systematic Name (OpenEye OEToolkits)N-[[1-(5-chloro-2,4-dihydroxy-phenyl)-2-oxo-3H-benzimidazol-5-yl]methyl]naphthalene-1-sulfonamide
FormulaC24 H18 Cl N3 O5 S
Molecular Weight495.935
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(c2c1ccccc1ccc2)NCc3cc4c(cc3)N(C(=O)N4)c5cc(Cl)c(O)cc5O
SMILESCACTVS3.370Oc1cc(O)c(cc1Cl)N2C(=O)Nc3cc(CN[S](=O)(=O)c4cccc5ccccc45)ccc23
SMILESOpenEye OEToolkits1.7.0c1ccc2c(c1)cccc2S(=O)(=O)NCc3ccc4c(c3)NC(=O)N4c5cc(c(cc5O)O)Cl
Canonical SMILESCACTVS3.370 Oc1cc(O)c(cc1Cl)N2C(=O)Nc3cc(CN[S](=O)(=O)c4cccc5ccccc45)ccc23
Canonical SMILESOpenEye OEToolkits1.7.0 c1ccc2c(c1)cccc2S(=O)(=O)NCc3ccc4c(c3)NC(=O)N4c5cc(c(cc5O)O)Cl
InChIInChI1.03 InChI=1S/C24H18ClN3O5S/c25-17-11-20(22(30)12-21(17)29)28-19-9-8-14(10-18(19)27-24(28)31)13-26-34(32,33)23-7-3-5-15-4-1-2-6-16(15)23/h1-12,26,29-30H,13H2,(H,27,31)
InChIKeyInChI1.03 VUQDPFXQYOUHGL-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL1801578
PubChem 50925477
ChEMBL CHEMBL1801578