3-(thiophen-2-ylmethylsulfamoylmethyl)benzoic acid

Systemtic Name: 3-(thiophen-2-ylmethylsulfamoylmethyl)benzoic acid Openeye Name: 3-(2-thienylmethylsulfamoylmethyl)benzoic acid CAS Name: 3-(thiophen-2-ylmethylsulfamoylmethyl)benzoic acid IUPAC Name: 3-(thiophen-2-ylmethylsulfamoylmethyl)benzoic acid Traditional Name: 3-(2-thenylsulfamoylmethyl)benzoic acid Formula: C13H13NO4S2 MolecularWeight: 311.37662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CS(=O)(=O)NCC2=CC=CS2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CS(=O)(=O)NCC2=CC=CS2)C(=O)O

InChI

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