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

Systemtic Name: 5-[[3-(diethylsulfamoyl)-4-methyl-phenyl]sulfamoyl]-2-fluoranyl-benzoic acid Openeye Name: 5-[[3-(diethylsulfamoyl)-4-methyl-phenyl]sulfamoyl]-2-fluoro-benzoic acid CAS Name: 5-[[3-(diethylsulfamoyl)-4-methylphenyl]sulfamoyl]-2-fluorobenzoic acid IUPAC Name: 5-[[3-(diethylsulfamoyl)-4-methylphenyl]sulfamoyl]-2-fluorobenzoic acid Traditional Name: 5-[[3-(diethylsulfamoyl)-4-methyl-phenyl]sulfamoyl]-2-fluoro-benzoic acid Formula: C18H21FN2O6S2 MolecularWeight: 444.497543

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)F)C(=O)O)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)F)C(=O)O)C

InChI

InChI=1S/C18H21FN2O6S2/c1-4-21(5-2)29(26,27)17-10-13(7-6-12(17)3)20-28(24,25)14-8-9-16(19)15(11-14)18(22)23/h6-11,20H,4-5H2,1-3H3,(H,22,23)