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

Systemtic Name: 3-[[1-(4-bromophenyl)-3-methoxy-3-oxidanylidene-propyl]sulfamoyl]benzoic acid Openeye Name: 3-[[1-(4-bromophenyl)-3-methoxy-3-oxo-propyl]sulfamoyl]benzoic acid CAS Name: 3-[[1-(4-bromophenyl)-3-methoxy-3-oxopropyl]sulfamoyl]benzoic acid IUPAC Name: 3-[[1-(4-bromophenyl)-3-methoxy-3-oxopropyl]sulfamoyl]benzoic acid Traditional Name: 3-[[1-(4-bromophenyl)-3-keto-3-methoxy-propyl]sulfamoyl]benzoic acid Formula: C17H16BrNO6S MolecularWeight: 442.28104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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