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IEA

Summary
Name:5,5-dimethyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione
Formula:C22 H18 F3 N3 O4 S
Formal charge:0
Formula weight:477.456 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.75,5-dimethyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C22H18F3N3O4S/c1-21(2)19(29)28(15-7-9-16(10-8-15)33(31,32)22(23,24)25)20(30)27(21)13-14-11-12-26-18-6-4-3-5-17(14)18/h3-12H,13H2,1-2H3
InChIKeyInChI1.06WXNMKLZXAKKCON-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC1(C)N(Cc2ccnc3ccccc23)C(=O)N(C1=O)c4ccc(cc4)[S](=O)(=O)C(F)(F)F
SMILESCACTVS3.385CC1(C)N(Cc2ccnc3ccccc23)C(=O)N(C1=O)c4ccc(cc4)[S](=O)(=O)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.7CC1(C(=O)N(C(=O)N1Cc2ccnc3c2cccc3)c4ccc(cc4)S(=O)(=O)C(F)(F)F)C
SMILESOpenEye OEToolkits2.0.7CC1(C(=O)N(C(=O)N1Cc2ccnc3c2cccc3)c4ccc(cc4)S(=O)(=O)C(F)(F)F)C

227344

PDB entries from 2024-11-13

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