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HPU

Summary
Name:N-[3-(1-hydroxy-6-oxo-4-phenyl-1,6-dihydropyridin-2-yl)phenyl]methanesulfonamide
Formula:C18 H16 N2 O4 S
Formal charge:0
Formula weight:356.396 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[3-(1-hydroxy-6-oxo-4-phenyl-1,6-dihydropyridin-2-yl)phenyl]methanesulfonamide
OpenEye OEToolkits1.7.6N-[3-(1-oxidanyl-6-oxidanylidene-4-phenyl-pyridin-2-yl)phenyl]methanesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C3C=C(c1ccccc1)C=C(c2cccc(NS(=O)(=O)C)c2)N3O
InChIInChI1.03InChI=1S/C18H16N2O4S/c1-25(23,24)19-16-9-5-8-14(10-16)17-11-15(12-18(21)20(17)22)13-6-3-2-4-7-13/h2-12,19,22H,1H3
InChIKeyInChI1.03MDYXMYBWSBAIMZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370C[S](=O)(=O)Nc1cccc(c1)C2=CC(=CC(=O)N2O)c3ccccc3
SMILESCACTVS3.370C[S](=O)(=O)Nc1cccc(c1)C2=CC(=CC(=O)N2O)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.7.6CS(=O)(=O)Nc1cccc(c1)C2=CC(=CC(=O)N2O)c3ccccc3
SMILESOpenEye OEToolkits1.7.6CS(=O)(=O)Nc1cccc(c1)C2=CC(=CC(=O)N2O)c3ccccc3

225946

PDB entries from 2024-10-09

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