2-[4-bromanyl-2-(methylsulfamoyl)phenyl]sulfanylbenzoic acid

Systemtic Name: 2-[4-bromanyl-2-(methylsulfamoyl)phenyl]sulfanylbenzoic acid Openeye Name: 2-[4-bromo-2-(methylsulfamoyl)phenyl]sulfanylbenzoic acid CAS Name: 2-[[4-bromo-2-(methylsulfamoyl)phenyl]thio]benzoic acid IUPAC Name: 2-[4-bromo-2-(methylsulfamoyl)phenyl]sulfanylbenzoic acid Traditional Name: 2-[[4-bromo-2-(methylsulfamoyl)phenyl]thio]benzoic acid Formula: C14H12BrNO4S2 MolecularWeight: 402.28338

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=C(C=CC(=C1)Br)SC2=CC=CC=C2C(=O)O

Isomeric SMILES

CNS(=O)(=O)C1=C(C=CC(=C1)Br)SC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C14H12BrNO4S2/c1-16-22(19,20)13-8-9(15)6-7-12(13)21-11-5-3-2-4-10(11)14(17)18/h2-8,16H,1H3,(H,17,18)