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

Systemtic Name: 3-[4-[[1-(4-bromophenyl)-3-methoxy-3-oxidanylidene-propyl]sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[[1-(4-bromophenyl)-3-methoxy-3-oxo-propyl]sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[1-(4-bromophenyl)-3-methoxy-3-oxopropyl]sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[[1-(4-bromophenyl)-3-methoxy-3-oxopropyl]sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[[1-(4-bromophenyl)-3-keto-3-methoxy-propyl]sulfamoyl]phenyl]propionic acid Formula: C19H20BrNO6S MolecularWeight: 470.3342

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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)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrNO6S/c1-27-19(24)12-17(14-5-7-15(20)8-6-14)21-28(25,26)16-9-2-13(3-10-16)4-11-18(22)23/h2-3,5-10,17,21H,4,11-12H2,1H3,(H,22,23)