3-[(3,4-dimethylphenyl)methylsulfamoyl]-5-fluoranyl-benzoic acid

Systemtic Name: 3-[(3,4-dimethylphenyl)methylsulfamoyl]-5-fluoranyl-benzoic acid Openeye Name: 3-[(3,4-dimethylphenyl)methylsulfamoyl]-5-fluoro-benzoic acid CAS Name: 3-[(3,4-dimethylphenyl)methylsulfamoyl]-5-fluorobenzoic acid IUPAC Name: 3-[(3,4-dimethylphenyl)methylsulfamoyl]-5-fluorobenzoic acid Traditional Name: 3-[(3,4-dimethylbenzyl)sulfamoyl]-5-fluoro-benzoic acid Formula: C16H16FNO4S MolecularWeight: 337.365943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNS(=O)(=O)C2=CC(=CC(=C2)F)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)CNS(=O)(=O)C2=CC(=CC(=C2)F)C(=O)O)C

InChI

InChI=1S/C16H16FNO4S/c1-10-3-4-12(5-11(10)2)9-18-23(21,22)15-7-13(16(19)20)6-14(17)8-15/h3-8,18H,9H2,1-2H3,(H,19,20)