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WQE

Summary
Name:1-[8-(4-bromanyl-3-fluoranyl-phenyl)sulfonyl-2,8-diazaspiro[3.5]nonan-2-yl]-2-chloranyl-ethanone
Formula:C15 H17 Br Cl F N2 O3 S
Formal charge:0
Formula weight:439.727 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.71-[8-(4-bromanyl-3-fluoranyl-phenyl)sulfonyl-2,8-diazaspiro[3.5]nonan-2-yl]-2-chloranyl-ethanone

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C15H17BrClFN2O3S/c16-12-3-2-11(6-13(12)18)24(22,23)20-5-1-4-15(10-20)8-19(9-15)14(21)7-17/h2-3,6H,1,4-5,7-10H2
InChIKeyInChI1.06UASFTGYOOMVYPB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1cc(ccc1Br)[S](=O)(=O)N2CCCC3(CN(C3)C(=O)CCl)C2
SMILESCACTVS3.385Fc1cc(ccc1Br)[S](=O)(=O)N2CCCC3(CN(C3)C(=O)CCl)C2
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(c(cc1S(=O)(=O)N2CCCC3(C2)CN(C3)C(=O)CCl)F)Br
SMILESOpenEye OEToolkits2.0.7c1cc(c(cc1S(=O)(=O)N2CCCC3(C2)CN(C3)C(=O)CCl)F)Br

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PDB entries from 2026-04-08

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