CHEMBL3087804
General
Type : Sulfonamide,Sulfur Compound,Benzenesulfonamide
Chemical_Nomenclature : 4-(2-chloro-6-nitrophenoxy)-N-[2-(diethylamino)ethyl]benzenesulfonamide
Canonical SMILES : CCN(CC)CCNS(=O)(=O)C1=CC=C(C=C1)OC2=C(C=CC=C2Cl)[N+](=O)[O-]
InChI : InChI=1S\/C18H22ClN3O5S\/c1-3-21(4-2)13-12-20-28(25,26)15-10-8-14(9-11-15)27-18-16(19)6-5-7-17(18)22(23)24\/h5-11,20H,3-4,12-13H2,1-2H3
InChIKey : NBPRMWUQGSKNES-UHFFFAOYSA-N
Other name(s) : BDBM50443031,N-[2-(Diethylamino)ethyl]-4-(2-chloro-6-nitrophenoxy)benzenesulfonamide
MW : 427.9
Formula : C18H22ClN3O5S
CAS_number :
PubChem : 71695578
UniChem : NBPRMWUQGSKNES-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : CHEMBL3087804 ligand of proteins in family: ACHE
Stucture : 4BTL Aromatic interactions in acetylcholinesterase-inhibitor complexes
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 : Andersson_2013_J.Med.Chem_56_7615 |
| ESTHER : Andersson_2013_J.Med.Chem_56_7615 |
| PubMedSearch : Andersson_2013_J.Med.Chem_56_7615 |
| PubMedID: 23984975 |
| Gene_locus related to this paper: mouse-ACHE |