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MB4

Summary
Name:5-({[(2-methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide
Formula:C13 H14 N4 O5 S2
Formal charge:0
Formula weight:370.404 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-({[(2-methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide
OpenEye OEToolkits1.7.61-(2-methylphenyl)sulfonyl-3-(6-sulfamoylpyridin-3-yl)urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(c2ncc(NC(=O)NS(=O)(=O)c1ccccc1C)cc2)N
InChIInChI1.03InChI=1S/C13H14N4O5S2/c1-9-4-2-3-5-11(9)24(21,22)17-13(18)16-10-6-7-12(15-8-10)23(14,19)20/h2-8H,1H3,(H2,14,19,20)(H2,16,17,18)
InChIKeyInChI1.03FSPCZTCUVKLQSU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370Cc1ccccc1[S](=O)(=O)NC(=O)Nc2ccc(nc2)[S](N)(=O)=O
SMILESCACTVS3.370Cc1ccccc1[S](=O)(=O)NC(=O)Nc2ccc(nc2)[S](N)(=O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1ccccc1S(=O)(=O)NC(=O)Nc2ccc(nc2)S(=O)(=O)N
SMILESOpenEye OEToolkits1.7.6Cc1ccccc1S(=O)(=O)NC(=O)Nc2ccc(nc2)S(=O)(=O)N

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PDB entries from 2024-10-09

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