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QTA

Summary
Name:3-(phenylsulfonyl)benzene-1-sulfonamide
Formula:C12 H11 N O4 S2
Formal charge:0
Formula weight:297.35 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-(phenylsulfonyl)benzene-1-sulfonamide
OpenEye OEToolkits2.0.73-(phenylsulfonyl)benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(cc(S(N)(=O)=O)ccc1)S(c2ccccc2)(=O)=O
InChIInChI1.03InChI=1S/C12H11NO4S2/c13-19(16,17)12-8-4-7-11(9-12)18(14,15)10-5-2-1-3-6-10/h1-9H,(H2,13,16,17)
InChIKeyInChI1.03XYMATFXFXPYYNY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385N[S](=O)(=O)c1cccc(c1)[S](=O)(=O)c2ccccc2
SMILESCACTVS3.385N[S](=O)(=O)c1cccc(c1)[S](=O)(=O)c2ccccc2
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)S(=O)(=O)c2cccc(c2)S(=O)(=O)N
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)S(=O)(=O)c2cccc(c2)S(=O)(=O)N

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数据于2024-07-17公开中

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