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ZE2

Summary
Name:4-(hydroxymethyl)-1-(4-methoxy-5,6,7,8-tetrahydronaphthalene-1-sulfonyl)piperidin-4-ol
Formula:C17 H25 N O5 S
Formal charge:0
Formula weight:355.449 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-(hydroxymethyl)-1-(4-methoxy-5,6,7,8-tetrahydronaphthalene-1-sulfonyl)piperidin-4-ol
OpenEye OEToolkits2.0.74-(hydroxymethyl)-1-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)sulfonyl]piperidin-4-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OC1(CCN(CC1)S(=O)(=O)c1ccc(OC)c2CCCCc21)CO
InChIInChI1.06InChI=1S/C17H25NO5S/c1-23-15-6-7-16(14-5-3-2-4-13(14)15)24(21,22)18-10-8-17(20,12-19)9-11-18/h6-7,19-20H,2-5,8-12H2,1H3
InChIKeyInChI1.06HMRYHSCJKFERQE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(c2CCCCc12)[S](=O)(=O)N3CCC(O)(CO)CC3
SMILESCACTVS3.385COc1ccc(c2CCCCc12)[S](=O)(=O)N3CCC(O)(CO)CC3
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1ccc(c2c1CCCC2)S(=O)(=O)N3CCC(CC3)(CO)O
SMILESOpenEye OEToolkits2.0.7COc1ccc(c2c1CCCC2)S(=O)(=O)N3CCC(CC3)(CO)O

223532

数据于2024-08-07公开中

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