O9S

2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(propan-2-yl)oxy]benzohydrazide

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

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Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count0
Bond Count45
Aromatic Bond Count12
2D diagram of O9S

Chemical Component Summary

Name2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(propan-2-yl)oxy]benzohydrazide
Systematic Name (OpenEye OEToolkits)2-fluoranyl-3-methyl-~{N}'-(phenylsulfonyl)-5-propan-2-yloxy-benzohydrazide
FormulaC17 H19 F N2 O4 S
Molecular Weight366.407
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01C(=O)(c1c(c(cc(c1)OC(C)C)C)F)NNS(c2ccccc2)(=O)=O
SMILESCACTVS3.385CC(C)Oc1cc(C)c(F)c(c1)C(=O)NN[S](=O)(=O)c2ccccc2
SMILESOpenEye OEToolkits2.0.7Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)OC(C)C
Canonical SMILESCACTVS3.385 CC(C)Oc1cc(C)c(F)c(c1)C(=O)NN[S](=O)(=O)c2ccccc2
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)OC(C)C
InChIInChI1.03 InChI=1S/C17H19FN2O4S/c1-11(2)24-13-9-12(3)16(18)15(10-13)17(21)19-20-25(22,23)14-7-5-4-6-8-14/h4-11,20H,1-3H3,(H,19,21)
InChIKeyInChI1.03 REQXSAOLNCUPGK-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 135298580