Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

V26

Summary
Name:2,3,6-tris(fluoranyl)-5-(methylamino)-4-(2-phenylethylsulfonyl)benzenesulfonamide
Formula:C15 H15 F3 N2 O4 S2
Formal charge:0
Formula weight:408.416 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.52,3,6-tris(fluoranyl)-5-(methylamino)-4-(2-phenylethylsulfonyl)benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C15H15F3N2O4S2/c1-20-13-12(18)14(26(19,23)24)10(16)11(17)15(13)25(21,22)8-7-9-5-3-2-4-6-9/h2-6,20H,7-8H2,1H3,(H2,19,23,24)
InChIKeyInChI1.03WQFYXDRMKJAGFX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CNc1c(F)c(c(F)c(F)c1[S](=O)(=O)CCc2ccccc2)[S](N)(=O)=O
SMILESCACTVS3.385CNc1c(F)c(c(F)c(F)c1[S](=O)(=O)CCc2ccccc2)[S](N)(=O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.5CNc1c(c(c(c(c1S(=O)(=O)CCc2ccccc2)F)F)S(=O)(=O)N)F
SMILESOpenEye OEToolkits2.0.5CNc1c(c(c(c(c1S(=O)(=O)CCc2ccccc2)F)F)S(=O)(=O)N)F

223532

건을2024-08-07부터공개중

PDB statisticsPDBj update infoContact PDBjnumon