Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

60K

Summary
Name:(3Z)-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1H-indole-5-carboxylic acid
Formula:C15 H12 N4 O5 S
Formal charge:0
Formula weight:360.345 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(3Z)-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1H-indole-5-carboxylic acid
OpenEye OEToolkits1.7.2(3Z)-2-oxidanylidene-3-[(4-sulfamoylphenyl)hydrazinylidene]-1H-indole-5-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(N)c1ccc(cc1)N/N=C3/c2cc(ccc2NC3=O)C(=O)O
InChIInChI1.03InChI=1S/C15H12N4O5S/c16-25(23,24)10-4-2-9(3-5-10)18-19-13-11-7-8(15(21)22)1-6-12(11)17-14(13)20/h1-7,18H,(H,21,22)(H2,16,23,24)(H,17,19,20)
InChIKeyInChI1.03JHTDQQNFBRWRSP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370N[S](=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(cc23)C(O)=O)cc1
SMILESCACTVS3.370N[S](=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(O)=O)cc1
SMILES_CANONICALOpenEye OEToolkits1.7.2c1cc(ccc1N/N=C\2/c3cc(ccc3NC2=O)C(=O)O)S(=O)(=O)N
SMILESOpenEye OEToolkits1.7.2c1cc(ccc1NN=C2c3cc(ccc3NC2=O)C(=O)O)S(=O)(=O)N

222926

数据于2024-07-24公开中

PDB statisticsPDBj update infoContact PDBjnumon