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CHEMBL3087813

General

Type : Sulfur Compound, Sulfonamide, Sulfonyl, Benzenesulfonamide

Chemical_Nomenclature : N-[2-(diethylamino)ethyl]-2-fluorobenzenesulfonamide

Canonical SMILES : CCN(CC)CCNS(=O)(=O)C1=CC=CC=C1F

InChI : 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 : DWACGKNOPVYPHQ-UHFFFAOYSA-N

Other name(s) : AC1M23IP  ||  ZINC2726126  ||  BDBM50443043  ||  AKOS008940863  ||  MCULE-2152724809  ||  AC1M23IM  ||  Diethyl-[2-[(2-fluorophenyl)sulfonylamino]ethyl]azanium  ||  B3Z

MW : 274.35

Formula : C12H19FN2O2S

CAS_number :

PubChem : 2161439,    2161438

UniChem : DWACGKNOPVYPHQ-UHFFFAOYSA-N

Target

Families : CHEMBL3087813 ligand of proteins in family
ACHE

Structure :
4B82

Protein :
mouse-ACHE

References (1)

Title : Divergent Structure-Activity Relationships of Structurally Similar Acetylcholinesterase Inhibitors - Andersson_2013_J.Med.Chem_56_7615
Author(s) : Andersson CD , Forsgren N , Akfur C , Allgardsson A , Berg L , Engdahl C , Qian W , Ekstrom F , Linusson A
Ref : Journal of Medicinal Chemistry , 56 :7615 , 2013
Abstract :
PubMedSearch : Andersson_2013_J.Med.Chem_56_7615
PubMedID: 23984975
Gene_locus related to this paper: mouse-ACHE