5-[[1-(4-bromophenyl)-3-methoxy-3-oxidanylidene-propyl]sulfamoyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[1-(4-bromophenyl)-3-methoxy-3-oxidanylidene-propyl]sulfamoyl]-2-oxidanyl-benzoic acid Openeye Name: 5-[[1-(4-bromophenyl)-3-methoxy-3-oxo-propyl]sulfamoyl]-2-hydroxy-benzoic acid CAS Name: 5-[[1-(4-bromophenyl)-3-methoxy-3-oxopropyl]sulfamoyl]-2-hydroxybenzoic acid IUPAC Name: 5-[[1-(4-bromophenyl)-3-methoxy-3-oxopropyl]sulfamoyl]-2-hydroxybenzoic acid Traditional Name: 5-[[1-(4-bromophenyl)-3-keto-3-methoxy-propyl]sulfamoyl]-2-hydroxy-benzoic acid Formula: C17H16BrNO7S MolecularWeight: 458.28044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrNO7S/c1-26-16(21)9-14(10-2-4-11(18)5-3-10)19-27(24,25)12-6-7-15(20)13(8-12)17(22)23/h2-8,14,19-20H,9H2,1H3,(H,22,23)