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

Systemtic Name: 5-chloranyl-2-fluoranyl-3-[methyl(pentan-3-yl)sulfamoyl]benzoic acid Openeye Name: 5-chloro-3-[1-ethylpropyl(methyl)sulfamoyl]-2-fluoro-benzoic acid CAS Name: 5-chloro-2-fluoro-3-[methyl(pentan-3-yl)sulfamoyl]benzoic acid IUPAC Name: 5-chloro-2-fluoro-3-[methyl(pentan-3-yl)sulfamoyl]benzoic acid Traditional Name: 5-chloro-3-[1-ethylpropyl(methyl)sulfamoyl]-2-fluoro-benzoic acid Formula: C13H17ClFNO4S MolecularWeight: 337.794783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClFNO4S/c1-4-9(5-2)16(3)21(19,20)11-7-8(14)6-10(12(11)15)13(17)18/h6-7,9H,4-5H2,1-3H3,(H,17,18)