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7XW

Summary
Name:N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-pyridin-3-yl]benzenesulfonamide
Synonyms:N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxypyridin-3-yl]benzenesulfonamide
Formula:C17 H18 N2 O4 S
Formal charge:0
Formula weight:346.401 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-[5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-pyridin-3-yl]benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C17H18N2O4S/c1-22-17-16(19-24(20,21)15-5-3-2-4-6-15)11-14(12-18-17)13-7-9-23-10-8-13/h2-7,11-12,19H,8-10H2,1H3
InChIKeyInChI1.06OZEVUWLUKNYTLV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ncc(cc1N[S](=O)(=O)c2ccccc2)C3=CCOCC3
SMILESCACTVS3.385COc1ncc(cc1N[S](=O)(=O)c2ccccc2)C3=CCOCC3
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1c(cc(cn1)C2=CCOCC2)NS(=O)(=O)c3ccccc3
SMILESOpenEye OEToolkits2.0.7COc1c(cc(cn1)C2=CCOCC2)NS(=O)(=O)c3ccccc3

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PDB entries from 2024-08-07

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