MLS

2-fluoro-3-methyl-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide

Created:	2019-04-10
Last modified:	2019-07-03

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1 entries where MLS is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	0
Bond Count	42
Aromatic Bond Count	17

2D diagram of MLS

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Chemical Component Summary
Name	2-fluoro-3-methyl-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide
Systematic Name (OpenEye OEToolkits)	2-fluoranyl-3-methyl-~{N}'-naphthalen-2-ylsulfonyl-benzohydrazide
Formula	C₁₈ H₁₅ F N₂ O₃ S
Molecular Weight	358.387
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2(cc1ccccc1cc2)S(NNC(c3c(c(C)ccc3)F)=O)(=O)=O
SMILES	CACTVS	3.385	Cc1cccc(C(=O)NN[S](=O)(=O)c2ccc3ccccc3c2)c1F
SMILES	OpenEye OEToolkits	2.0.7	Cc1cccc(c1F)C(=O)NNS(=O)(=O)c2ccc3ccccc3c2
Canonical SMILES	CACTVS	3.385	Cc1cccc(C(=O)NN[S](=O)(=O)c2ccc3ccccc3c2)c1F
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1cccc(c1F)C(=O)NNS(=O)(=O)c2ccc3ccccc3c2
InChI	InChI	1.03	InChI=1S/C18H15FN2O3S/c1-12-5-4-8-16(17(12)19)18(22)20-21-25(23,24)15-10-9-13-6-2-3-7-14(13)11-15/h2-11,21H,1H3,(H,20,22)
InChIKey	InChI	1.03	DILVLVXPRQTRMP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	135298550

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.