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

A1IYQ

Summary
Name:~{N}-methyl-~{N}-[[(3~{R})-1-(phenylmethyl)pyrrolidin-3-yl]methyl]naphthalene-2-sulfonamide
Formula:C23 H26 N2 O2 S
Formal charge:0
Formula weight:394.53 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-methyl-~{N}-[[(3~{R})-1-(phenylmethyl)pyrrolidin-3-yl]methyl]naphthalene-2-sulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C23H26N2O2S/c1-24(16-20-13-14-25(18-20)17-19-7-3-2-4-8-19)28(26,27)23-12-11-21-9-5-6-10-22(21)15-23/h2-12,15,20H,13-14,16-18H2,1H3
InChIKeyInChI1.06FNPKLEUPADIGIY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C[C@@H]1CCN(C1)Cc2ccccc2)[S](=O)(=O)c3ccc4ccccc4c3
SMILESCACTVS3.385CN(C[CH]1CCN(C1)Cc2ccccc2)[S](=O)(=O)c3ccc4ccccc4c3
SMILES_CANONICALOpenEye OEToolkits2.0.7CN(C[C@@H]1CCN(C1)Cc2ccccc2)S(=O)(=O)c3ccc4ccccc4c3
SMILESOpenEye OEToolkits2.0.7CN(CC1CCN(C1)Cc2ccccc2)S(=O)(=O)c3ccc4ccccc4c3

248335

PDB entries from 2026-01-28

PDB statisticsPDBj update infoContact PDBjnumon