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87D

Summary
Name:N-[3-(4-methoxy-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-4-phenoxyphenyl]methanesulfonamide
Formula:C20 H20 N2 O5 S
Formal charge:0
Formula weight:400.448 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[3-(4-methoxy-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-4-phenoxyphenyl]methanesulfonamide
OpenEye OEToolkits2.0.6~{N}-[3-(4-methoxy-1-methyl-6-oxidanylidene-pyridin-3-yl)-4-phenoxy-phenyl]methanesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C=3C(N(C)C=C(c1c(ccc(c1)NS(C)(=O)=O)Oc2ccccc2)C=3OC)=O
InChIInChI1.03InChI=1S/C20H20N2O5S/c1-22-13-17(19(26-2)12-20(22)23)16-11-14(21-28(3,24)25)9-10-18(16)27-15-7-5-4-6-8-15/h4-13,21H,1-3H3
InChIKeyInChI1.03RHNWTJMCFPHSQX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COC1=CC(=O)N(C)C=C1c2cc(N[S](C)(=O)=O)ccc2Oc3ccccc3
SMILESCACTVS3.385COC1=CC(=O)N(C)C=C1c2cc(N[S](C)(=O)=O)ccc2Oc3ccccc3
SMILES_CANONICALOpenEye OEToolkits2.0.6CN1C=C(C(=CC1=O)OC)c2cc(ccc2Oc3ccccc3)NS(=O)(=O)C
SMILESOpenEye OEToolkits2.0.6CN1C=C(C(=CC1=O)OC)c2cc(ccc2Oc3ccccc3)NS(=O)(=O)C

222624

数据于2024-07-17公开中

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