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TPD

Summary
Name:N-(2-THIENYLMETHYL)-2,5-THIOPHENEDISULFONAMIDE
Formula:C9 H10 N2 O4 S4
Formal charge:0
Formula weight:338.447 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-(thiophen-2-ylmethyl)thiophene-2,5-disulfonamide
OpenEye OEToolkits1.5.0N-(thiophen-2-ylmethyl)thiophene-2,5-disulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(c1sc(cc1)S(=O)(=O)NCc2sccc2)N
SMILES_CANONICALCACTVS3.341N[S](=O)(=O)c1sc(cc1)[S](=O)(=O)NCc2sccc2
SMILESCACTVS3.341N[S](=O)(=O)c1sc(cc1)[S](=O)(=O)NCc2sccc2
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(sc1)CNS(=O)(=O)c2ccc(s2)S(=O)(=O)N
SMILESOpenEye OEToolkits1.5.0c1cc(sc1)CNS(=O)(=O)c2ccc(s2)S(=O)(=O)N
InChIInChI1.03InChI=1S/C9H10N2O4S4/c10-18(12,13)8-3-4-9(17-8)19(14,15)11-6-7-2-1-5-16-7/h1-5,11H,6H2,(H2,10,12,13)
InChIKeyInChI1.03STOTVDLYLKWVJB-UHFFFAOYSA-N

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PDB entries from 2024-05-15

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