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

LNZ

Summary
Name:5-(5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl)-4-methoxy-2-methyl-N-(methylsulfonyl)benzamide
Formula:C17 H17 N O5 S2
Formal charge:0
Formula weight:379.451 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-4-methoxy-2-methyl-N-(methylsulfonyl)benzamide
OpenEye OEToolkits2.0.44-methoxy-2-methyl-~{N}-methylsulfonyl-5-[5-(3-oxidanylprop-1-ynyl)thiophen-2-yl]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1c(C(=O)NS(C)(=O)=O)c(C)cc(c1c2ccc(s2)C#CCO)OC
InChIInChI1.03InChI=1S/C17H17NO5S2/c1-11-9-15(23-2)14(10-13(11)17(20)18-25(3,21)22)16-7-6-12(24-16)5-4-8-19/h6-7,9-10,19H,8H2,1-3H3,(H,18,20)
InChIKeyInChI1.03BQEHLOAHCIMXML-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cc(C)c(cc1c2sc(cc2)C#CCO)C(=O)N[S](C)(=O)=O
SMILESCACTVS3.385COc1cc(C)c(cc1c2sc(cc2)C#CCO)C(=O)N[S](C)(=O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.4Cc1cc(c(cc1C(=O)NS(=O)(=O)C)c2ccc(s2)C#CCO)OC
SMILESOpenEye OEToolkits2.0.4Cc1cc(c(cc1C(=O)NS(=O)(=O)C)c2ccc(s2)C#CCO)OC

223532

PDB entries from 2024-08-07

PDB statisticsPDBj update infoContact PDBjnumon