3-[butan-2-yl(methyl)sulfamoyl]-5-fluoranyl-4-methyl-benzoic acid

Systemtic Name: 3-[butan-2-yl(methyl)sulfamoyl]-5-fluoranyl-4-methyl-benzoic acid Openeye Name: 3-fluoro-4-methyl-5-[methyl(sec-butyl)sulfamoyl]benzoic acid CAS Name: 3-[butan-2-yl(methyl)sulfamoyl]-5-fluoro-4-methylbenzoic acid IUPAC Name: 3-[butan-2-yl(methyl)sulfamoyl]-5-fluoro-4-methylbenzoic acid Traditional Name: 3-fluoro-4-methyl-5-[methyl(sec-butyl)sulfamoyl]benzoic acid Formula: C13H18FNO4S MolecularWeight: 303.349723

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C)S(=O)(=O)C1=CC(=CC(=C1C)F)C(=O)O

Isomeric SMILES

CCC(C)N(C)S(=O)(=O)C1=CC(=CC(=C1C)F)C(=O)O

InChI

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