4-fluoranyl-3-[methyl(pentan-2-yl)sulfamoyl]benzoic acid

Systemtic Name: 4-fluoranyl-3-[methyl(pentan-2-yl)sulfamoyl]benzoic acid Openeye Name: 4-fluoro-3-[methyl(1-methylbutyl)sulfamoyl]benzoic acid CAS Name: 4-fluoro-3-[methyl(pentan-2-yl)sulfamoyl]benzoic acid IUPAC Name: 4-fluoro-3-[methyl(pentan-2-yl)sulfamoyl]benzoic acid Traditional Name: 4-fluoro-3-[methyl(1-methylbutyl)sulfamoyl]benzoic acid Formula: C13H18FNO4S MolecularWeight: 303.349723

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)O)F

Isomeric SMILES

CCCC(C)N(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)O)F

InChI

InChI=1S/C13H18FNO4S/c1-4-5-9(2)15(3)20(18,19)12-8-10(13(16)17)6-7-11(12)14/h6-9H,4-5H2,1-3H3,(H,16,17)