3-bromanyl-4-[methyl(oxan-4-yl)sulfamoyl]benzoic acid

Systemtic Name: 3-bromanyl-4-[methyl(oxan-4-yl)sulfamoyl]benzoic acid Openeye Name: 3-bromo-4-[methyl(tetrahydropyran-4-yl)sulfamoyl]benzoic acid CAS Name: 3-bromo-4-[methyl(4-oxanyl)sulfamoyl]benzoic acid IUPAC Name: 3-bromo-4-[methyl(oxan-4-yl)sulfamoyl]benzoic acid Traditional Name: 3-bromo-4-[methyl(tetrahydropyran-4-yl)sulfamoyl]benzoic acid Formula: C13H16BrNO5S MolecularWeight: 378.23884

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCOCC1)S(=O)(=O)C2=C(C=C(C=C2)C(=O)O)Br

Isomeric SMILES

CN(C1CCOCC1)S(=O)(=O)C2=C(C=C(C=C2)C(=O)O)Br

InChI

InChI=1S/C13H16BrNO5S/c1-15(10-4-6-20-7-5-10)21(18,19)12-3-2-9(13(16)17)8-11(12)14/h2-3,8,10H,4-7H2,1H3,(H,16,17)