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

A1I7N

Summary
Name:~{N}-[2,4-bis(fluoranyl)-3-methyl-phenyl]-2-methyl-5-piperidin-1-ylsulfonyl-furan-3-carboxamide
Formula:C18 H20 F2 N2 O4 S
Formal charge:0
Formula weight:398.424 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-[2,4-bis(fluoranyl)-3-methyl-phenyl]-2-methyl-5-piperidin-1-ylsulfonyl-furan-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C18H20F2N2O4S/c1-11-14(19)6-7-15(17(11)20)21-18(23)13-10-16(26-12(13)2)27(24,25)22-8-4-3-5-9-22/h6-7,10H,3-5,8-9H2,1-2H3,(H,21,23)
InChIKeyInChI1.06GPLFJUVOKHJOGM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1oc(cc1C(=O)Nc2ccc(F)c(C)c2F)[S](=O)(=O)N3CCCCC3
SMILESCACTVS3.385Cc1oc(cc1C(=O)Nc2ccc(F)c(C)c2F)[S](=O)(=O)N3CCCCC3
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1c(ccc(c1F)NC(=O)c2cc(oc2C)S(=O)(=O)N3CCCCC3)F
SMILESOpenEye OEToolkits2.0.7Cc1c(ccc(c1F)NC(=O)c2cc(oc2C)S(=O)(=O)N3CCCCC3)F

260896

PDB entries from 2026-10-14

PDB statisticsPDBj update infoContact PDBjnumon