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RA1

Summary
Name:2-chloranyl-4-nitro-~{N}-(4-sulfamoylphenyl)benzamide
Formula:C13 H10 Cl N3 O5 S
Formal charge:0
Formula weight:355.754 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.62-chloranyl-4-nitro-~{N}-(4-sulfamoylphenyl)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C13H10ClN3O5S/c14-12-7-9(17(19)20)3-6-11(12)13(18)16-8-1-4-10(5-2-8)23(15,21)22/h1-7H,(H,16,18)(H2,15,21,22)
InChIKeyInChI1.03RYNWTIXQTVFOEO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385N[S](=O)(=O)c1ccc(NC(=O)c2ccc(cc2Cl)[N+]([O-])=O)cc1
SMILESCACTVS3.385N[S](=O)(=O)c1ccc(NC(=O)c2ccc(cc2Cl)[N+]([O-])=O)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc(ccc1NC(=O)c2ccc(cc2Cl)[N+](=O)[O-])S(=O)(=O)N
SMILESOpenEye OEToolkits2.0.6c1cc(ccc1NC(=O)c2ccc(cc2Cl)[N+](=O)[O-])S(=O)(=O)N

225946

PDB entries from 2024-10-09

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