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WQ9

Summary
Name:1-[(5~{R})-2-(4-bromanyl-3-fluoranyl-phenyl)sulfonyl-2,7-diazaspiro[4.4]nonan-7-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-[(5~{R})-2-(4-bromanyl-3-fluoranyl-phenyl)sulfonyl-2,7-diazaspiro[4.4]nonan-7-yl]-2-chloranyl-ethanone

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C15H17BrClFN2O3S/c16-12-2-1-11(7-13(12)18)24(22,23)20-6-4-15(10-20)3-5-19(9-15)14(21)8-17/h1-2,7H,3-6,8-10H2/t15-/m1/s1
InChIKeyInChI1.06RVTGGWFEHOZRDJ-OAHLLOKOSA-N
SMILES_CANONICALCACTVS3.385Fc1cc(ccc1Br)[S](=O)(=O)N2CC[C@@]3(CCN(C3)C(=O)CCl)C2
SMILESCACTVS3.385Fc1cc(ccc1Br)[S](=O)(=O)N2CC[C]3(CCN(C3)C(=O)CCl)C2
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(c(cc1S(=O)(=O)N2CC[C@]3(C2)CCN(C3)C(=O)CCl)F)Br
SMILESOpenEye OEToolkits2.0.7c1cc(c(cc1S(=O)(=O)N2CCC3(C2)CCN(C3)C(=O)CCl)F)Br

247947

PDB entries from 2026-01-21

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