B3Z

N-[2-(diethylamino)ethyl]-2-fluoranyl-benzenesulfonamide

Created:	2012-08-24
Last modified:	2014-09-05

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1 entries where B3Z is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	6

2D diagram of B3Z

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Chemical Component Summary
Name	N-[2-(diethylamino)ethyl]-2-fluoranyl-benzenesulfonamide
Systematic Name (OpenEye OEToolkits)	N-[2-(diethylamino)ethyl]-2-fluoranyl-benzenesulfonamide
Formula	C₁₂ H₁₉ F N₂ O₂ S
Molecular Weight	274.355
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1ccccc1S(=O)(=O)NCCN(CC)CC
SMILES	CACTVS	3.385	CCN(CC)CCN[S](=O)(=O)c1ccccc1F
SMILES	OpenEye OEToolkits	1.9.2	CCN(CC)CCNS(=O)(=O)c1ccccc1F
Canonical SMILES	CACTVS	3.385	CCN(CC)CCN[S](=O)(=O)c1ccccc1F
Canonical SMILES	OpenEye OEToolkits	1.9.2	CCN(CC)CCNS(=O)(=O)c1ccccc1F
InChI	InChI	1.03	InChI=1S/C12H19FN2O2S/c1-3-15(4-2)10-9-14-18(16,17)12-8-6-5-7-11(12)13/h5-8,14H,3-4,9-10H2,1-2H3
InChIKey	InChI	1.03	DWACGKNOPVYPHQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2161439
ChEMBL	CHEMBL3087813

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.