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O8X

Summary
Name:3,4-dihydroxy-N-{2-[4-(3-hydroxybenzene-1-sulfonyl)phenyl]ethyl}benzene-1-sulfonamide
Formula:C20 H19 N O7 S2
Formal charge:0
Formula weight:449.497 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.013,4-dihydroxy-N-{2-[4-(3-hydroxybenzene-1-sulfonyl)phenyl]ethyl}benzene-1-sulfonamide
OpenEye OEToolkits2.0.7~{N}-[2-[4-(3-hydroxyphenyl)sulfonylphenyl]ethyl]-3,4-bis(oxidanyl)benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Oc1ccc(cc1O)S(=O)(=O)NCCc1ccc(cc1)S(=O)(=O)c1cc(O)ccc1
InChIInChI1.03InChI=1S/C20H19NO7S2/c22-15-2-1-3-17(12-15)29(25,26)16-6-4-14(5-7-16)10-11-21-30(27,28)18-8-9-19(23)20(24)13-18/h1-9,12-13,21-24H,10-11H2
InChIKeyInChI1.03WVXXJFOMKHHPNL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1cccc(c1)[S](=O)(=O)c2ccc(CCN[S](=O)(=O)c3ccc(O)c(O)c3)cc2
SMILESCACTVS3.385Oc1cccc(c1)[S](=O)(=O)c2ccc(CCN[S](=O)(=O)c3ccc(O)c(O)c3)cc2
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CCNS(=O)(=O)c3ccc(c(c3)O)O)O
SMILESOpenEye OEToolkits2.0.7c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CCNS(=O)(=O)c3ccc(c(c3)O)O)O

223532

数据于2024-08-07公开中

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