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G5O

Summary
Name:2-[[2-chloranyl-5-(phenylsulfonyl)phenyl]carbonylamino]benzoic acid
Formula:C20 H14 Cl N O5 S
Formal charge:0
Formula weight:415.847 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-[[2-chloranyl-5-(phenylsulfonyl)phenyl]carbonylamino]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C20H14ClNO5S/c21-17-11-10-14(28(26,27)13-6-2-1-3-7-13)12-16(17)19(23)22-18-9-5-4-8-15(18)20(24)25/h1-12H,(H,22,23)(H,24,25)
InChIKeyInChI1.03CLAUJSRBKSRTGQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1ccccc1NC(=O)c2cc(ccc2Cl)[S](=O)(=O)c3ccccc3
SMILESCACTVS3.385OC(=O)c1ccccc1NC(=O)c2cc(ccc2Cl)[S](=O)(=O)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)S(=O)(=O)c2ccc(c(c2)C(=O)Nc3ccccc3C(=O)O)Cl
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)S(=O)(=O)c2ccc(c(c2)C(=O)Nc3ccccc3C(=O)O)Cl

223790

數據於2024-08-14公開中

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