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

Systemtic Name: 2-bromanyl-5-[(3-methoxy-3-oxidanylidene-1-phenyl-propyl)sulfamoyl]benzoic acid Openeye Name: 2-bromo-5-[(3-methoxy-3-oxo-1-phenyl-propyl)sulfamoyl]benzoic acid CAS Name: 2-bromo-5-[(3-methoxy-3-oxo-1-phenylpropyl)sulfamoyl]benzoic acid IUPAC Name: 2-bromo-5-[(3-methoxy-3-oxo-1-phenylpropyl)sulfamoyl]benzoic acid Traditional Name: 2-bromo-5-[(3-keto-3-methoxy-1-phenyl-propyl)sulfamoyl]benzoic acid Formula: C17H16BrNO6S MolecularWeight: 442.28104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrNO6S/c1-25-16(20)10-15(11-5-3-2-4-6-11)19-26(23,24)12-7-8-14(18)13(9-12)17(21)22/h2-9,15,19H,10H2,1H3,(H,21,22)