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AB4

Summary
Name:2,5-DICHLORO-N-[4-HYDROXY-3-(2-HYDROXY-1-NAPHTHYL)PHENYL]BENZENESULFONAMIDE
Formula:C22 H15 Cl2 N O4 S
Formal charge:0
Formula weight:460.33 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042,5-dichloro-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide
OpenEye OEToolkits1.5.02,5-dichloro-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(c1cc(Cl)ccc1Cl)Nc4cc(c3c2ccccc2ccc3O)c(O)cc4
SMILES_CANONICALCACTVS3.341Oc1ccc(N[S](=O)(=O)c2cc(Cl)ccc2Cl)cc1c3c(O)ccc4ccccc34
SMILESCACTVS3.341Oc1ccc(N[S](=O)(=O)c2cc(Cl)ccc2Cl)cc1c3c(O)ccc4ccccc34
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc2c(c1)ccc(c2c3cc(ccc3O)NS(=O)(=O)c4cc(ccc4Cl)Cl)O
SMILESOpenEye OEToolkits1.5.0c1ccc2c(c1)ccc(c2c3cc(ccc3O)NS(=O)(=O)c4cc(ccc4Cl)Cl)O
InChIInChI1.03InChI=1S/C22H15Cl2NO4S/c23-14-6-8-18(24)21(11-14)30(28,29)25-15-7-10-19(26)17(12-15)22-16-4-2-1-3-13(16)5-9-20(22)27/h1-12,25-27H
InChIKeyInChI1.03KDKVLAFZMJRTEA-UHFFFAOYSA-N

219869

PDB entries from 2024-05-15

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