O9V

2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-propoxybenzohydrazide

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

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1 entries where O9V is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	12

2D diagram of O9V

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Chemical Component Summary
Name	2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-propoxybenzohydrazide
Systematic Name (OpenEye OEToolkits)	2-fluoranyl-3-methyl-~{N}'-(phenylsulfonyl)-5-propoxy-benzohydrazide
Formula	C₁₇ H₁₉ F N₂ O₄ S
Molecular Weight	366.407
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(=O)(c1c(c(cc(c1)OCCC)C)F)NNS(c2ccccc2)(=O)=O
SMILES	CACTVS	3.385	CCCOc1cc(C)c(F)c(c1)C(=O)NN[S](=O)(=O)c2ccccc2
SMILES	OpenEye OEToolkits	2.0.7	CCCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccccc2)F)C
Canonical SMILES	CACTVS	3.385	CCCOc1cc(C)c(F)c(c1)C(=O)NN[S](=O)(=O)c2ccccc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccccc2)F)C
InChI	InChI	1.03	InChI=1S/C17H19FN2O4S/c1-3-9-24-13-10-12(2)16(18)15(11-13)17(21)19-20-25(22,23)14-7-5-4-6-8-14/h4-8,10-11,20H,3,9H2,1-2H3,(H,19,21)
InChIKey	InChI	1.03	GOFZTZBCDBZRIA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	135298625

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.