5-[[[4-bromanyl-3-(dimethylsulfamoyl)phenyl]carbonylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[[4-bromanyl-3-(dimethylsulfamoyl)phenyl]carbonylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[4-bromo-3-(dimethylsulfamoyl)benzoyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[[4-bromo-3-(dimethylsulfamoyl)phenyl]-oxomethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[4-bromo-3-(dimethylsulfamoyl)benzoyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[4-bromo-3-(dimethylsulfamoyl)benzoyl]amino]methyl]-2-methoxy-benzoic acid Formula: C18H19BrN2O6S MolecularWeight: 471.32226

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)NCC2=CC(=C(C=C2)OC)C(=O)O)Br

Isomeric SMILES

CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)NCC2=CC(=C(C=C2)OC)C(=O)O)Br

InChI

InChI=1S/C18H19BrN2O6S/c1-21(2)28(25,26)16-9-12(5-6-14(16)19)17(22)20-10-11-4-7-15(27-3)13(8-11)18(23)24/h4-9H,10H2,1-3H3,(H,20,22)(H,23,24)