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V0Q

Summary
Name:[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]methanol
Formula:C13 H20 N2 O3 S
Formal charge:0
Formula weight:284.375 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]methanol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C13H20N2O3S/c1-2-14-7-9-15(10-8-14)19(17,18)13-5-3-12(11-16)4-6-13/h3-6,16H,2,7-11H2,1H3
InChIKeyInChI1.03STTZDXPCBNCOSK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCN1CCN(CC1)[S](=O)(=O)c2ccc(CO)cc2
SMILESCACTVS3.385CCN1CCN(CC1)[S](=O)(=O)c2ccc(CO)cc2
SMILES_CANONICALOpenEye OEToolkits2.0.7CCN1CCN(CC1)S(=O)(=O)c2ccc(cc2)CO
SMILESOpenEye OEToolkits2.0.7CCN1CCN(CC1)S(=O)(=O)c2ccc(cc2)CO

223790

數據於2024-08-14公開中

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