O9D

5-ethoxy-2-fluoro-3-methyl-N'-(phenylsulfonyl)benzohydrazide

Created: 2019-06-19
Last modified:  2020-04-01

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Chemical Details

Formal Charge0
Atom Count41
Chiral Atom Count0
Bond Count42
Aromatic Bond Count12
2D diagram of O9D

Chemical Component Summary

Name5-ethoxy-2-fluoro-3-methyl-N'-(phenylsulfonyl)benzohydrazide
Systematic Name (OpenEye OEToolkits)5-ethoxy-2-fluoranyl-3-methyl-~{N}'-(phenylsulfonyl)benzohydrazide
FormulaC16 H17 F N2 O4 S
Molecular Weight352.381
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01c2(C(=O)NNS(c1ccccc1)(=O)=O)cc(OCC)cc(c2F)C
SMILESCACTVS3.385CCOc1cc(C)c(F)c(c1)C(=O)NN[S](=O)(=O)c2ccccc2
SMILESOpenEye OEToolkits2.0.7CCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccccc2)F)C
Canonical SMILESCACTVS3.385 CCOc1cc(C)c(F)c(c1)C(=O)NN[S](=O)(=O)c2ccccc2
Canonical SMILESOpenEye OEToolkits2.0.7 CCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccccc2)F)C
InChIInChI1.03 InChI=1S/C16H17FN2O4S/c1-3-23-12-9-11(2)15(17)14(10-12)16(20)18-19-24(21,22)13-7-5-4-6-8-13/h4-10,19H,3H2,1-2H3,(H,18,20)
InChIKeyInChI1.03 JKKRGQGRKITOSW-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 124132130