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3KR

Summary
Name:1-(2-methoxyethyl)-N-oxo-4-({4-[4-(trifluoromethoxy)phenoxy]phenyl}sulfonyl)piperidine-4-carboxamide
Formula:C22 H23 F3 N2 O7 S
Formal charge:0
Formula weight:516.487 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.6.11-(2-methoxyethyl)-N-oxo-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-piperidine-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILES_CANONICALCACTVS3.352COCCN1CCC(CC1)(C(=O)N=O)[S](=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2
SMILESCACTVS3.352COCCN1CCC(CC1)(C(=O)N=O)[S](=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2
SMILES_CANONICALOpenEye OEToolkits1.7.0COCCN1CCC(CC1)(C(=O)N=O)S(=O)(=O)c2ccc(cc2)Oc3ccc(cc3)OC(F)(F)F
SMILESOpenEye OEToolkits1.7.0COCCN1CCC(CC1)(C(=O)N=O)S(=O)(=O)c2ccc(cc2)Oc3ccc(cc3)OC(F)(F)F
InChIInChI1.03InChI=1S/C22H23F3N2O7S/c1-32-15-14-27-12-10-21(11-13-27,20(28)26-29)35(30,31)19-8-6-17(7-9-19)33-16-2-4-18(5-3-16)34-22(23,24)25/h2-9H,10-15H2,1H3
InChIKeyInChI1.03JMZMOQBVAXNXIQ-UHFFFAOYSA-N

247536

PDB entries from 2026-01-14

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