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A1I7D

Summary
Name:~{N}-(5-bromanyl-4-fluoranyl-2-methyl-phenyl)-2-methyl-5-piperidin-1-ylsulfonyl-furan-3-carboxamide
Formula:C18 H20 Br F N2 O4 S
Formal charge:0
Formula weight:459.33 Da
Component type:non-polymer

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C18H20BrFN2O4S/c1-11-8-15(20)14(19)10-16(11)21-18(23)13-9-17(26-12(13)2)27(24,25)22-6-4-3-5-7-22/h8-10H,3-7H2,1-2H3,(H,21,23)
InChIKeyInChI1.06VTSLANJIZFXLBL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1oc(cc1C(=O)Nc2cc(Br)c(F)cc2C)[S](=O)(=O)N3CCCCC3
SMILESCACTVS3.385Cc1oc(cc1C(=O)Nc2cc(Br)c(F)cc2C)[S](=O)(=O)N3CCCCC3
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cc(c(cc1NC(=O)c2cc(oc2C)S(=O)(=O)N3CCCCC3)Br)F
SMILESOpenEye OEToolkits2.0.7Cc1cc(c(cc1NC(=O)c2cc(oc2C)S(=O)(=O)N3CCCCC3)Br)F

260626

PDB entries from 2026-10-07

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