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

Systemtic Name: 3-fluoranyl-4-methyl-5-[methyl(2-methylpropyl)sulfamoyl]benzoic acid Openeye Name: 3-fluoro-5-[isobutyl(methyl)sulfamoyl]-4-methyl-benzoic acid CAS Name: 3-fluoro-4-methyl-5-[methyl(2-methylpropyl)sulfamoyl]benzoic acid IUPAC Name: 3-fluoro-4-methyl-5-[methyl(2-methylpropyl)sulfamoyl]benzoic acid Traditional Name: 3-fluoro-5-[isobutyl(methyl)sulfamoyl]-4-methyl-benzoic acid Formula: C13H18FNO4S MolecularWeight: 303.349723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)N(C)CC(C)C)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)N(C)CC(C)C)C(=O)O)F

InChI

InChI=1S/C13H18FNO4S/c1-8(2)7-15(4)20(18,19)12-6-10(13(16)17)5-11(14)9(12)3/h5-6,8H,7H2,1-4H3,(H,16,17)