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OE3

Summary
Name:~{N}-[(1-ethyl-4-methyl-2-oxidanylidene-quinolin-6-yl)methyl]benzenesulfonamide
Formula:C19 H20 N2 O3 S
Formal charge:0
Formula weight:356.439 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits3.1.0.0~{N}-[(1-ethyl-4-methyl-2-oxidanylidene-quinolin-6-yl)methyl]benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C19H20N2O3S/c1-3-21-18-10-9-15(12-17(18)14(2)11-19(21)22)13-20-25(23,24)16-7-5-4-6-8-16/h4-12,20H,3,13H2,1-2H3
InChIKeyInChI1.06ZRTFSGAREQNMFJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCN1C(=O)C=C(C)c2cc(CN[S](=O)(=O)c3ccccc3)ccc12
SMILESCACTVS3.385CCN1C(=O)C=C(C)c2cc(CN[S](=O)(=O)c3ccccc3)ccc12
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CCN1c2ccc(cc2C(=CC1=O)C)CNS(=O)(=O)c3ccccc3
SMILESOpenEye OEToolkits3.1.0.0CCN1c2ccc(cc2C(=CC1=O)C)CNS(=O)(=O)c3ccccc3

222415

PDB entries from 2024-07-10

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