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

Systemtic Name: 5-[[1-(4-bromophenyl)-3-methoxy-3-oxidanylidene-propyl]sulfamoyl]-2-methyl-benzoic acid Openeye Name: 5-[[1-(4-bromophenyl)-3-methoxy-3-oxo-propyl]sulfamoyl]-2-methyl-benzoic acid CAS Name: 5-[[1-(4-bromophenyl)-3-methoxy-3-oxopropyl]sulfamoyl]-2-methylbenzoic acid IUPAC Name: 5-[[1-(4-bromophenyl)-3-methoxy-3-oxopropyl]sulfamoyl]-2-methylbenzoic acid Traditional Name: 5-[[1-(4-bromophenyl)-3-keto-3-methoxy-propyl]sulfamoyl]-2-methyl-benzoic acid Formula: C18H18BrNO6S MolecularWeight: 456.30762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC(CC(=O)OC)C2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC(CC(=O)OC)C2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C18H18BrNO6S/c1-11-3-8-14(9-15(11)18(22)23)27(24,25)20-16(10-17(21)26-2)12-4-6-13(19)7-5-12/h3-9,16,20H,10H2,1-2H3,(H,22,23)