3-fluoranyl-4-[methyl-(4-methylphenyl)sulfonyl-amino]benzoic acid

Systemtic Name: 3-fluoranyl-4-[methyl-(4-methylphenyl)sulfonyl-amino]benzoic acid Openeye Name: 3-fluoro-4-[methyl(p-tolylsulfonyl)amino]benzoic acid CAS Name: 3-fluoro-4-[methyl-(4-methylphenyl)sulfonylamino]benzoic acid IUPAC Name: 3-fluoro-4-[methyl-(4-methylphenyl)sulfonylamino]benzoic acid Traditional Name: 3-fluoro-4-[methyl(tosyl)amino]benzoic acid Formula: C15H14FNO4S MolecularWeight: 323.339363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(C=C(C=C2)C(=O)O)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(C=C(C=C2)C(=O)O)F

InChI

InChI=1S/C15H14FNO4S/c1-10-3-6-12(7-4-10)22(20,21)17(2)14-8-5-11(15(18)19)9-13(14)16/h3-9H,1-2H3,(H,18,19)