4-(thiophen-2-ylmethylsulfamoylmethyl)benzoic acid

Systemtic Name: 4-(thiophen-2-ylmethylsulfamoylmethyl)benzoic acid Openeye Name: 4-(2-thienylmethylsulfamoylmethyl)benzoic acid CAS Name: 4-(thiophen-2-ylmethylsulfamoylmethyl)benzoic acid IUPAC Name: 4-(thiophen-2-ylmethylsulfamoylmethyl)benzoic acid Traditional Name: 4-(2-thenylsulfamoylmethyl)benzoic acid Formula: C13H13NO4S2 MolecularWeight: 311.37662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CNS(=O)(=O)CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CSC(=C1)CNS(=O)(=O)CC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H13NO4S2/c15-13(16)11-5-3-10(4-6-11)9-20(17,18)14-8-12-2-1-7-19-12/h1-7,14H,8-9H2,(H,15,16)