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ZOG

Summary
Name:4-{4-[4-(3,4-difluorophenyl)piperidine-1-sulfonyl]phenyl}-4-oxobutanoic acid
Formula:C21 H21 F2 N O5 S
Formal charge:0
Formula weight:437.457 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-{4-[4-(3,4-difluorophenyl)piperidine-1-sulfonyl]phenyl}-4-oxobutanoic acid
OpenEye OEToolkits2.0.74-[4-[4-[3,4-bis(fluoranyl)phenyl]piperidin-1-yl]sulfonylphenyl]-4-oxidanylidene-butanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(c1ccc(cc1)C(=O)CCC(=O)O)N1CCC(CC1)c1ccc(F)c(F)c1
InChIInChI1.03InChI=1S/C21H21F2NO5S/c22-18-6-3-16(13-19(18)23)14-9-11-24(12-10-14)30(28,29)17-4-1-15(2-5-17)20(25)7-8-21(26)27/h1-6,13-14H,7-12H2,(H,26,27)
InChIKeyInChI1.03MCLQTWVCUVNNQM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)CCC(=O)c1ccc(cc1)[S](=O)(=O)N2CCC(CC2)c3ccc(F)c(F)c3
SMILESCACTVS3.385OC(=O)CCC(=O)c1ccc(cc1)[S](=O)(=O)N2CCC(CC2)c3ccc(F)c(F)c3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(ccc1C(=O)CCC(=O)O)S(=O)(=O)N2CCC(CC2)c3ccc(c(c3)F)F
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1C(=O)CCC(=O)O)S(=O)(=O)N2CCC(CC2)c3ccc(c(c3)F)F

250359

PDB entries from 2026-03-11

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