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DF5

Summary
Name:6-methoxy-1-(4-sulfamoylbenzoyl)quinolinium
Formula:C17 H15 N2 O4 S
Formal charge:1
Formula weight:343.377 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-methoxy-1-(4-sulfamoylbenzoyl)quinolinium
OpenEye OEToolkits1.9.24-(6-methoxyquinolin-1-ium-1-yl)carbonylbenzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(N)c1ccc(cc1)C(=O)[n+]2cccc3c2ccc(c3)OC
InChIInChI1.03InChI=1S/C17H15N2O4S/c1-23-14-6-9-16-13(11-14)3-2-10-19(16)17(20)12-4-7-15(8-5-12)24(18,21)22/h2-11H,1H3,(H2,18,21,22)/q+1
InChIKeyInChI1.03DUMRKZDLHIONQC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc2c(ccc[n+]2C(=O)c3ccc(cc3)[S](N)(=O)=O)c1
SMILESCACTVS3.385COc1ccc2c(ccc[n+]2C(=O)c3ccc(cc3)[S](N)(=O)=O)c1
SMILES_CANONICALOpenEye OEToolkits1.9.2COc1ccc2c(c1)ccc[n+]2C(=O)c3ccc(cc3)S(=O)(=O)N
SMILESOpenEye OEToolkits1.9.2COc1ccc2c(c1)ccc[n+]2C(=O)c3ccc(cc3)S(=O)(=O)N

223532

건을2024-08-07부터공개중

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