GZE

[4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl] sulfamate

Created:2018-10-26
Last modified:  2019-11-20

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Chemical Details

Formal Charge0
Atom Count37
Chiral Atom Count0
Bond Count38
Aromatic Bond Count12
2D diagram of GZE

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Chemical Component Summary

Name[4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl] sulfamate
Systematic Name (OpenEye OEToolkits)[4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl] sulfamate
FormulaC14 H11 Cl F3 N3 O4 S
Molecular Weight409.768
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385N[S](=O)(=O)Oc1ccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1
SMILESOpenEye OEToolkits2.0.6c1cc(ccc1NC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl)OS(=O)(=O)N
Canonical SMILESCACTVS3.385 N[S](=O)(=O)Oc1ccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1
Canonical SMILESOpenEye OEToolkits2.0.6 c1cc(ccc1NC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl)OS(=O)(=O)N
InChIInChI1.03 InChI=1S/C14H11ClF3N3O4S/c15-12-6-3-9(7-11(12)14(16,17)18)21-13(22)20-8-1-4-10(5-2-8)25-26(19,23)24/h1-7H,(H2,19,23,24)(H2,20,21,22)
InChIKeyInChI1.03 MPRZOKLPIVROML-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 139593608