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O3R

Summary
Name:6-{[(3,4-dichlorophenyl)methyl](methyl)amino}pyridine-3-sulfonamide
Formula:C13 H13 Cl2 N3 O2 S
Formal charge:0
Formula weight:346.232 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-{[(3,4-dichlorophenyl)methyl](methyl)amino}pyridine-3-sulfonamide
OpenEye OEToolkits2.0.76-[(3,4-dichlorophenyl)methyl-methyl-amino]pyridine-3-sulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CN(Cc1ccc(Cl)c(Cl)c1)c1ccc(cn1)S(N)(=O)=O
InChIInChI1.03InChI=1S/C13H13Cl2N3O2S/c1-18(8-9-2-4-11(14)12(15)6-9)13-5-3-10(7-17-13)21(16,19)20/h2-7H,8H2,1H3,(H2,16,19,20)
InChIKeyInChI1.03UMTNBAIWJVAAGI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(Cc1ccc(Cl)c(Cl)c1)c2ccc(cn2)[S](N)(=O)=O
SMILESCACTVS3.385CN(Cc1ccc(Cl)c(Cl)c1)c2ccc(cn2)[S](N)(=O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CN(Cc1ccc(c(c1)Cl)Cl)c2ccc(cn2)S(=O)(=O)N
SMILESOpenEye OEToolkits2.0.7CN(Cc1ccc(c(c1)Cl)Cl)c2ccc(cn2)S(=O)(=O)N

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數據於2024-11-06公開中

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