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A1EQH

Summary
Name:3-[4-[4-(ethylamino)-6-fluoranyl-2-oxidanylidene-3H-benzimidazol-1-yl]phenoxy]benzenesulfonyl fluoride
Formula:C21 H17 F2 N3 O4 S
Formal charge:0
Formula weight:445.439 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.73-[4-[4-(ethylamino)-6-fluoranyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl]phenoxy]benzenesulfonyl fluoride

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C21H17F2N3O4S/c1-2-24-18-10-13(22)11-19-20(18)25-21(27)26(19)14-6-8-15(9-7-14)30-16-4-3-5-17(12-16)31(23,28)29/h3-12,24H,2H2,1H3,(H,25,27)
InChIKeyInChI1.06SOZNBDVDUWCDFT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCNc1cc(F)cc2N(C(=O)Nc12)c3ccc(Oc4cccc(c4)[S](F)(=O)=O)cc3
SMILESCACTVS3.385CCNc1cc(F)cc2N(C(=O)Nc12)c3ccc(Oc4cccc(c4)[S](F)(=O)=O)cc3
SMILES_CANONICALOpenEye OEToolkits2.0.7CCNc1cc(cc2c1NC(=O)N2c3ccc(cc3)Oc4cccc(c4)S(=O)(=O)F)F
SMILESOpenEye OEToolkits2.0.7CCNc1cc(cc2c1NC(=O)N2c3ccc(cc3)Oc4cccc(c4)S(=O)(=O)F)F

251801

PDB entries from 2026-04-08

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