Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

Q6F

Summary
Name:N-[(2,4-dichlorophenyl)methyl]-4-[(methylsulfonyl)amino]benzamide
Formula:C15 H14 Cl2 N2 O3 S
Formal charge:0
Formula weight:373.254 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[(2,4-dichlorophenyl)methyl]-4-[(methylsulfonyl)amino]benzamide
OpenEye OEToolkits2.0.6~{N}-[(2,4-dichlorophenyl)methyl]-4-(methylsulfonylamino)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(ccc(cc1)NS(C)(=O)=O)C(NCc2c(cc(cc2)Cl)Cl)=O
InChIInChI1.03InChI=1S/C15H14Cl2N2O3S/c1-23(21,22)19-13-6-3-10(4-7-13)15(20)18-9-11-2-5-12(16)8-14(11)17/h2-8,19H,9H2,1H3,(H,18,20)
InChIKeyInChI1.03RDFIQTZRJRVFHK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C[S](=O)(=O)Nc1ccc(cc1)C(=O)NCc2ccc(Cl)cc2Cl
SMILESCACTVS3.385C[S](=O)(=O)Nc1ccc(cc1)C(=O)NCc2ccc(Cl)cc2Cl
SMILES_CANONICALOpenEye OEToolkits2.0.6CS(=O)(=O)Nc1ccc(cc1)C(=O)NCc2ccc(cc2Cl)Cl
SMILESOpenEye OEToolkits2.0.6CS(=O)(=O)Nc1ccc(cc1)C(=O)NCc2ccc(cc2Cl)Cl

229380

数据于2024-12-25公开中

PDB statisticsPDBj update infoContact PDBjnumon