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A1KED

Summary
Name:~{N}-(cyclohexylmethyl)-4-(4-fluoranyl-2-methylsulfanyl-phenyl)-~{N}-methyl-2-methylsulfonyl-benzamide
Formula:C23 H28 F N O3 S2
Formal charge:0
Formula weight:449.602 Da
Component type:non-polymer

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C23H28FNO3S2/c1-25(15-16-7-5-4-6-8-16)23(26)20-11-9-17(13-22(20)30(3,27)28)19-12-10-18(24)14-21(19)29-2/h9-14,16H,4-8,15H2,1-3H3
InChIKeyInChI1.06MEFAYSLODGHXPL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CSc1cc(F)ccc1c2ccc(C(=O)N(C)CC3CCCCC3)c(c2)[S](C)(=O)=O
SMILESCACTVS3.385CSc1cc(F)ccc1c2ccc(C(=O)N(C)CC3CCCCC3)c(c2)[S](C)(=O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CN(CC1CCCCC1)C(=O)c2ccc(cc2S(=O)(=O)C)c3ccc(cc3SC)F
SMILESOpenEye OEToolkits2.0.7CN(CC1CCCCC1)C(=O)c2ccc(cc2S(=O)(=O)C)c3ccc(cc3SC)F

257179

PDB entries from 2026-07-29

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