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Z7D

Summary
Name:1-(benzyloxy)-4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}benzene
Formula:C24 H23 F O3 S
Formal charge:0
Formula weight:410.501 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-(benzyloxy)-4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}benzene
OpenEye OEToolkits2.0.71-[1-(4-fluorophenyl)sulfonylcyclopentyl]-4-phenylmethoxy-benzene

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c2c(OCc1ccccc1)ccc(c2)C3(CCCC3)S(c4ccc(cc4)F)(=O)=O
InChIInChI1.03InChI=1S/C24H23FO3S/c25-21-10-14-23(15-11-21)29(26,27)24(16-4-5-17-24)20-8-12-22(13-9-20)28-18-19-6-2-1-3-7-19/h1-3,6-15H,4-5,16-18H2
InChIKeyInChI1.03IXMWLTXJOWOLAW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1ccc(cc1)[S](=O)(=O)C2(CCCC2)c3ccc(OCc4ccccc4)cc3
SMILESCACTVS3.385Fc1ccc(cc1)[S](=O)(=O)C2(CCCC2)c3ccc(OCc4ccccc4)cc3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)COc2ccc(cc2)C3(CCCC3)S(=O)(=O)c4ccc(cc4)F
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)COc2ccc(cc2)C3(CCCC3)S(=O)(=O)c4ccc(cc4)F

221371

PDB entries from 2024-06-19

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