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A1I41

Summary
Name:~{N}-(cyclohexylmethyl)-4-(4-fluoranyl-2-methylsulfanyl-phenyl)-2-methylsulfonyl-benzamide
Formula:C22 H26 F N O3 S2
Formal charge:0
Formula weight:435.575 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-(cyclohexylmethyl)-4-(4-fluoranyl-2-methylsulfanyl-phenyl)-2-methylsulfonyl-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C22H26FNO3S2/c1-28-20-13-17(23)9-11-18(20)16-8-10-19(21(12-16)29(2,26)27)22(25)24-14-15-6-4-3-5-7-15/h8-13,15H,3-7,14H2,1-2H3,(H,24,25)
InChIKeyInChI1.06SQLMHOPYTBPHSH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CSc1cc(F)ccc1c2ccc(C(=O)NCC3CCCCC3)c(c2)[S](C)(=O)=O
SMILESCACTVS3.385CSc1cc(F)ccc1c2ccc(C(=O)NCC3CCCCC3)c(c2)[S](C)(=O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CSc1cc(ccc1c2ccc(c(c2)S(=O)(=O)C)C(=O)NCC3CCCCC3)F
SMILESOpenEye OEToolkits2.0.7CSc1cc(ccc1c2ccc(c(c2)S(=O)(=O)C)C(=O)NCC3CCCCC3)F

250835

PDB entries from 2026-03-18

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