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A1BLZ

Summary
Name:2-methyl-N-(2-{[2-(trifluoromethyl)phenyl]sulfanyl}ethyl)-2-[5-(trifluoromethyl)pyridine-2-sulfonyl]propanamide
Formula:C19 H18 F6 N2 O3 S2
Formal charge:0
Formula weight:500.478 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.522-methyl-N-(2-{[2-(trifluoromethyl)phenyl]sulfanyl}ethyl)-2-[5-(trifluoromethyl)pyridine-2-sulfonyl]propanamide
OpenEye OEToolkits3.1.0.02-methyl-~{N}-[2-[2-(trifluoromethyl)phenyl]sulfanylethyl]-2-[5-(trifluoromethyl)pyridin-2-yl]sulfonyl-propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=S(=O)(c1ccc(cn1)C(F)(F)F)C(C)(C)C(=O)NCCSc1ccccc1C(F)(F)F
InChIInChI1.06InChI=1S/C19H18F6N2O3S2/c1-17(2,32(29,30)15-8-7-12(11-27-15)18(20,21)22)16(28)26-9-10-31-14-6-4-3-5-13(14)19(23,24)25/h3-8,11H,9-10H2,1-2H3,(H,26,28)
InChIKeyInChI1.06LUNHBUGYRUFQHM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)(C(=O)NCCSc1ccccc1C(F)(F)F)[S](=O)(=O)c2ccc(cn2)C(F)(F)F
SMILESCACTVS3.385CC(C)(C(=O)NCCSc1ccccc1C(F)(F)F)[S](=O)(=O)c2ccc(cn2)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CC(C)(C(=O)NCCSc1ccccc1C(F)(F)F)S(=O)(=O)c2ccc(cn2)C(F)(F)F
SMILESOpenEye OEToolkits3.1.0.0CC(C)(C(=O)NCCSc1ccccc1C(F)(F)F)S(=O)(=O)c2ccc(cn2)C(F)(F)F

249697

PDB entries from 2026-02-25

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