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Z5K

Summary
Name:N-[2-(diethylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide
Formula:C13 H19 F3 N2 O2 S
Formal charge:0
Formula weight:324.362 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[2-(diethylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide
OpenEye OEToolkits1.9.2N-[2-(diethylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(NCCN(CC)CC)c1cc(ccc1)C(F)(F)F
InChIInChI1.03InChI=1S/C13H19F3N2O2S/c1-3-18(4-2)9-8-17-21(19,20)12-7-5-6-11(10-12)13(14,15)16/h5-7,10,17H,3-4,8-9H2,1-2H3
InChIKeyInChI1.03LCVUXYUASXEIMC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCN(CC)CCN[S](=O)(=O)c1cccc(c1)C(F)(F)F
SMILESCACTVS3.385CCN(CC)CCN[S](=O)(=O)c1cccc(c1)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits1.9.2CCN(CC)CCNS(=O)(=O)c1cccc(c1)C(F)(F)F
SMILESOpenEye OEToolkits1.9.2CCN(CC)CCNS(=O)(=O)c1cccc(c1)C(F)(F)F

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PDB entries from 2024-07-10

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