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1PH

Summary
Name:2-phenyl-N-[3-(3-sulfamoylphenyl)-2H-indazol-5-yl]acetamide
Formula:C21 H18 N4 O3 S
Formal charge:0
Formula weight:406.458 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-phenyl-N-[3-(3-sulfamoylphenyl)-2H-indazol-5-yl]acetamide
OpenEye OEToolkits1.7.62-phenyl-N-[3-(3-sulfamoylphenyl)-2H-indazol-5-yl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(N)c4cccc(c1c2cc(ccc2nn1)NC(=O)Cc3ccccc3)c4
InChIInChI1.03InChI=1S/C21H18N4O3S/c22-29(27,28)17-8-4-7-15(12-17)21-18-13-16(9-10-19(18)24-25-21)23-20(26)11-14-5-2-1-3-6-14/h1-10,12-13H,11H2,(H,23,26)(H,24,25)(H2,22,27,28)
InChIKeyInChI1.03WCYCISQGDVZZOB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370N[S](=O)(=O)c1cccc(c1)c2[nH]nc3ccc(NC(=O)Cc4ccccc4)cc23
SMILESCACTVS3.370N[S](=O)(=O)c1cccc(c1)c2[nH]nc3ccc(NC(=O)Cc4ccccc4)cc23
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(cc1)CC(=O)Nc2ccc3c(c2)c([nH]n3)c4cccc(c4)S(=O)(=O)N
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)CC(=O)Nc2ccc3c(c2)c([nH]n3)c4cccc(c4)S(=O)(=O)N

223532

數據於2024-08-07公開中

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