2-(4-methylphenoxy)-3-[phenylsulfonyl(trifluoromethyl)amino]benzoic acid

Systemtic Name: 2-(4-methylphenoxy)-3-[phenylsulfonyl(trifluoromethyl)amino]benzoic acid Openeye Name: 3-[benzenesulfonyl(trifluoromethyl)amino]-2-(4-methylphenoxy)benzoic acid CAS Name: 3-[benzenesulfonyl(trifluoromethyl)amino]-2-(4-methylphenoxy)benzoic acid IUPAC Name: 3-[benzenesulfonyl(trifluoromethyl)amino]-2-(4-methylphenoxy)benzoic acid Traditional Name: 3-[besyl(trifluoromethyl)amino]-2-(4-methylphenoxy)benzoic acid Formula: C21H16F3NO5S MolecularWeight: 451.41565

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=C(C=CC=C2N(C(F)(F)F)S(=O)(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)OC2=C(C=CC=C2N(C(F)(F)F)S(=O)(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H16F3NO5S/c1-14-10-12-15(13-11-14)30-19-17(20(26)27)8-5-9-18(19)25(21(22,23)24)31(28,29)16-6-3-2-4-7-16/h2-13H,1H3,(H,26,27)