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LXF

Summary
Name:N-{4-[(2-phenylethyl)sulfamoyl]-1,3-benzothiazol-2-yl}acetamide
Formula:C17 H17 N3 O3 S2
Formal charge:0
Formula weight:375.465 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-{4-[(2-phenylethyl)sulfamoyl]-1,3-benzothiazol-2-yl}acetamide
OpenEye OEToolkits2.0.7~{N}-[4-(2-phenylethylsulfamoyl)-1,3-benzothiazol-2-yl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(NCCc1ccccc1)c1cccc2sc(nc12)NC(C)=O
InChIInChI1.06InChI=1S/C17H17N3O3S2/c1-12(21)19-17-20-16-14(24-17)8-5-9-15(16)25(22,23)18-11-10-13-6-3-2-4-7-13/h2-9,18H,10-11H2,1H3,(H,19,20,21)
InChIKeyInChI1.06UNUUEHGQHLOCFZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(=O)Nc1sc2cccc(c2n1)[S](=O)(=O)NCCc3ccccc3
SMILESCACTVS3.385CC(=O)Nc1sc2cccc(c2n1)[S](=O)(=O)NCCc3ccccc3
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(=O)Nc1nc2c(s1)cccc2S(=O)(=O)NCCc3ccccc3
SMILESOpenEye OEToolkits2.0.7CC(=O)Nc1nc2c(s1)cccc2S(=O)(=O)NCCc3ccccc3

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数据于2024-07-24公开中

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