2-bromanyl-5-[(3-oxidanylidene-1-phenyl-3-propan-2-yloxy-propyl)sulfamoyl]benzoic acid

Systemtic Name: 2-bromanyl-5-[(3-oxidanylidene-1-phenyl-3-propan-2-yloxy-propyl)sulfamoyl]benzoic acid Openeye Name: 2-bromo-5-[(3-isopropoxy-3-oxo-1-phenyl-propyl)sulfamoyl]benzoic acid CAS Name: 2-bromo-5-[(3-oxo-1-phenyl-3-propan-2-yloxypropyl)sulfamoyl]benzoic acid IUPAC Name: 2-bromo-5-[(3-oxo-1-phenyl-3-propan-2-yloxypropyl)sulfamoyl]benzoic acid Traditional Name: 2-bromo-5-[(3-isopropoxy-3-keto-1-phenyl-propyl)sulfamoyl]benzoic acid Formula: C19H20BrNO6S MolecularWeight: 470.3342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C19H20BrNO6S/c1-12(2)27-18(22)11-17(13-6-4-3-5-7-13)21-28(25,26)14-8-9-16(20)15(10-14)19(23)24/h3-10,12,17,21H,11H2,1-2H3,(H,23,24)