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DYY

Summary
Name:1-[(2,6-difluorophenyl)sulfonyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
Formula:C18 H18 F2 N2 O6 S2
Formal charge:0
Formula weight:460.472 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041-[(2,6-difluorophenyl)sulfonyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
OpenEye OEToolkits1.5.01-(2,6-difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-7-ylsulfonyl)piperazine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Fc1cccc(F)c1S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3ccc4OCCOc4c3
SMILES_CANONICALCACTVS3.341Fc1cccc(F)c1[S](=O)(=O)N2CCN(CC2)[S](=O)(=O)c3ccc4OCCOc4c3
SMILESCACTVS3.341Fc1cccc(F)c1[S](=O)(=O)N2CCN(CC2)[S](=O)(=O)c3ccc4OCCOc4c3
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(c(c(c1)F)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3ccc4c(c3)OCCO4)F
SMILESOpenEye OEToolkits1.5.0c1cc(c(c(c1)F)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3ccc4c(c3)OCCO4)F
InChIInChI1.03InChI=1S/C18H18F2N2O6S2/c19-14-2-1-3-15(20)18(14)30(25,26)22-8-6-21(7-9-22)29(23,24)13-4-5-16-17(12-13)28-11-10-27-16/h1-5,12H,6-11H2
InChIKeyInChI1.03SHWNKRPMUBFWKE-UHFFFAOYSA-N

223532

數據於2024-08-07公開中

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