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AL9

Summary
Name:N-[(4-METHOXYPHENYL)METHYL]2,5-THIOPHENEDESULFONAMIDE
Synonyms:AL5927
Formula:C12 H14 N2 O5 S3
Formal charge:0
Formula weight:362.445 Da
Component type:NON-POLYMER

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(c1sc(cc1)S(=O)(=O)NCc2ccc(OC)cc2)N
SMILES_CANONICALCACTVS3.341COc1ccc(CN[S](=O)(=O)c2sc(cc2)[S](N)(=O)=O)cc1
SMILESCACTVS3.341COc1ccc(CN[S](=O)(=O)c2sc(cc2)[S](N)(=O)=O)cc1
SMILES_CANONICALOpenEye OEToolkits1.5.0COc1ccc(cc1)CNS(=O)(=O)c2ccc(s2)S(=O)(=O)N
SMILESOpenEye OEToolkits1.5.0COc1ccc(cc1)CNS(=O)(=O)c2ccc(s2)S(=O)(=O)N
InChIInChI1.03InChI=1S/C12H14N2O5S3/c1-19-10-4-2-9(3-5-10)8-14-22(17,18)12-7-6-11(20-12)21(13,15)16/h2-7,14H,8H2,1H3,(H2,13,15,16)
InChIKeyInChI1.03LRRAIRJIZOLGPR-UHFFFAOYSA-N

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PDB entries from 2024-07-17

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