N2K

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Summary

Name:~{N}-[2-(diethylamino)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
Formula:C14 H21 F3 N2 O2 S
Formal charge:0
Molecular weight:338.389 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-[2-(diethylamino)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=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
InChIKeyInChI1.03UJMFKSSVUDLNIV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCN(CC)CCN[S](=O)(=O)Cc1ccc(cc1)C(F)(F)F
SMILESCACTVS3.385CCN(CC)CCN[S](=O)(=O)Cc1ccc(cc1)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.7CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)C(F)(F)F
SMILESOpenEye OEToolkits2.0.7CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)C(F)(F)F
170172
PDB entries from 2020-10-21