2-[[3-(2-bromanylphenoxy)-2-oxidanyl-propyl]sulfamoyl]benzoic acid

Systemtic Name: 2-[[3-(2-bromanylphenoxy)-2-oxidanyl-propyl]sulfamoyl]benzoic acid Openeye Name: 2-[[3-(2-bromophenoxy)-2-hydroxy-propyl]sulfamoyl]benzoic acid CAS Name: 2-[[3-(2-bromophenoxy)-2-hydroxypropyl]sulfamoyl]benzoic acid IUPAC Name: 2-[[3-(2-bromophenoxy)-2-hydroxypropyl]sulfamoyl]benzoic acid Traditional Name: 2-[[3-(2-bromophenoxy)-2-hydroxy-propyl]sulfamoyl]benzoic acid Formula: C16H16BrNO6S MolecularWeight: 430.27034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)NCC(COC2=CC=CC=C2Br)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)NCC(COC2=CC=CC=C2Br)O

InChI

InChI=1S/C16H16BrNO6S/c17-13-6-2-3-7-14(13)24-10-11(19)9-18-25(22,23)15-8-4-1-5-12(15)16(20)21/h1-8,11,18-19H,9-10H2,(H,20,21)