EON

1-(2-methoxyphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea

Created:2018-04-05
Last modified:  2018-10-10

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Chemical Details

Formal Charge0
Atom Count38
Chiral Atom Count0
Bond Count39
Aromatic Bond Count12
2D diagram of EON

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Chemical Component Summary

Name1-(2-methoxyphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea
Systematic Name (OpenEye OEToolkits)1-(2-methoxyphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea
FormulaC14 H15 N3 O5 S
Molecular Weight337.351
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385COc1ccccc1NC(=O)Nc2cc(ccc2O)[S](N)(=O)=O
SMILESOpenEye OEToolkits2.0.6COc1ccccc1NC(=O)Nc2cc(ccc2O)S(=O)(=O)N
Canonical SMILESCACTVS3.385 COc1ccccc1NC(=O)Nc2cc(ccc2O)[S](N)(=O)=O
Canonical SMILESOpenEye OEToolkits2.0.6 COc1ccccc1NC(=O)Nc2cc(ccc2O)S(=O)(=O)N
InChIInChI1.03 InChI=1S/C14H15N3O5S/c1-22-13-5-3-2-4-10(13)16-14(19)17-11-8-9(23(15,20)21)6-7-12(11)18/h2-8,18H,1H3,(H2,15,20,21)(H2,16,17,19)
InChIKeyInChI1.03 TYTZFKRSGVNIDM-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL4282828
PubChem 134817798
ChEMBL CHEMBL4282828