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2D4

Summary
Name:N-[4-HYDROXY-3-(2-HYDROXYNAPHTHALEN-1-YL)PHENYL]THIOPHENE-2-SULFONAMIDE
Formula:C20 H15 N O4 S2
Formal charge:0
Formula weight:397.467 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]thiophene-2-sulfonamide
OpenEye OEToolkits1.7.0N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]thiophene-2-sulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(Nc3cc(c2c1ccccc1ccc2O)c(O)cc3)c4sccc4
SMILES_CANONICALCACTVS3.370Oc1ccc(N[S](=O)(=O)c2sccc2)cc1c3c(O)ccc4ccccc34
SMILESCACTVS3.370Oc1ccc(N[S](=O)(=O)c2sccc2)cc1c3c(O)ccc4ccccc34
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccc2c(c1)ccc(c2c3cc(ccc3O)NS(=O)(=O)c4cccs4)O
SMILESOpenEye OEToolkits1.7.0c1ccc2c(c1)ccc(c2c3cc(ccc3O)NS(=O)(=O)c4cccs4)O
InChIInChI1.03InChI=1S/C20H15NO4S2/c22-17-10-8-14(21-27(24,25)19-6-3-11-26-19)12-16(17)20-15-5-2-1-4-13(15)7-9-18(20)23/h1-12,21-23H
InChIKeyInChI1.03NYXDSXZBPWSAFA-UHFFFAOYSA-N

225946

PDB entries from 2024-10-09

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