CHEMBL3087809
General
Type : Sulfonamide,Sulfur Compound,Trifluoro
Chemical_Nomenclature : N-[2-(diethylamino)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
Canonical SMILES : CCN(CC)CCNS(=O)(=O)CC1=CC=C(C=C1)C(F)(F)F
InChI : InChI=1S\/C14H21F3N2O2S\/c1-3-19(4-2)10-9-18-22(20,21)11-12-5-7-13(8-6-12)14(15,16)17\/h5-8,18H,3-4,9-11H2,1-2H3
InChIKey : UJMFKSSVUDLNIV-UHFFFAOYSA-N
Other name(s) : BDBM50443029,N2K
MW : 338.39
Formula : C14H21F3N2O2S
CAS_number :
PubChem : 72704498
UniChem : UJMFKSSVUDLNIV-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : CHEMBL3087809 ligand of proteins in family: ACHE
Stucture : 6TD2 Mus musculus Acetylcholinesterase in complex with N-(2-(diethylamino)ethyl)-1-(4-(trifluoromethyl)phenyl)methanesulfonamide
Protein : mouse-ACHE
References (1)
| Title : Physical Mechanisms Governing Substituent Effects on Arene-Arene Interactions in a Protein Milieu - Andersson_2020_J.Phys.Chem.B_124_6529 |
| Author(s) : Andersson CD , Mishra BK , Forsgren N , Ekstrom F , Linusson A |
| Ref : J Phys Chem B , 124 :6529 , 2020 |
| Abstract : Andersson_2020_J.Phys.Chem.B_124_6529 |
| ESTHER : Andersson_2020_J.Phys.Chem.B_124_6529 |
| PubMedSearch : Andersson_2020_J.Phys.Chem.B_124_6529 |
| PubMedID: 32610016 |
| Gene_locus related to this paper: mouse-ACHE |