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AL5

Summary
Name:THIOPHENE-2,5-DISULFONIC ACID 2-AMIDE-5-(4-METHYL-BENZYLAMIDE)
Synonyms:AL5917
Formula:C12 H14 N2 O4 S3
Formal charge:0
Formula weight:346.446 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-(4-methylbenzyl)thiophene-2,5-disulfonamide
OpenEye OEToolkits1.5.0N-[(4-methylphenyl)methyl]thiophene-2,5-disulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(c1sc(cc1)S(=O)(=O)NCc2ccc(cc2)C)N
SMILES_CANONICALCACTVS3.341Cc1ccc(CN[S](=O)(=O)c2sc(cc2)[S](N)(=O)=O)cc1
SMILESCACTVS3.341Cc1ccc(CN[S](=O)(=O)c2sc(cc2)[S](N)(=O)=O)cc1
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1ccc(cc1)CNS(=O)(=O)c2ccc(s2)S(=O)(=O)N
SMILESOpenEye OEToolkits1.5.0Cc1ccc(cc1)CNS(=O)(=O)c2ccc(s2)S(=O)(=O)N
InChIInChI1.03InChI=1S/C12H14N2O4S3/c1-9-2-4-10(5-3-9)8-14-21(17,18)12-7-6-11(19-12)20(13,15)16/h2-7,14H,8H2,1H3,(H2,13,15,16)
InChIKeyInChI1.03GUNRMHMEAWSZQE-UHFFFAOYSA-N

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數據於2024-07-17公開中

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