3-[(4-sulfamoylphenyl)methylsulfanylmethyl]benzoic acid

Systemtic Name: 3-[(4-sulfamoylphenyl)methylsulfanylmethyl]benzoic acid Openeye Name: 3-[(4-sulfamoylphenyl)methylsulfanylmethyl]benzoic acid CAS Name: 3-[[(4-sulfamoylphenyl)methylthio]methyl]benzoic acid IUPAC Name: 3-[(4-sulfamoylphenyl)methylsulfanylmethyl]benzoic acid Traditional Name: 3-[[(4-sulfamoylbenzyl)thio]methyl]benzoic acid Formula: C15H15NO4S2 MolecularWeight: 337.4139

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSCC2=CC=C(C=C2)S(=O)(=O)N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CSCC2=CC=C(C=C2)S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C15H15NO4S2/c16-22(19,20)14-6-4-11(5-7-14)9-21-10-12-2-1-3-13(8-12)15(17)18/h1-8H,9-10H2,(H,17,18)(H2,16,19,20)