2-(furan-2-ylmethylamino)-5-methylsulfonyl-4-(trifluoromethyl)benzoic acid

Systemtic Name: 2-(furan-2-ylmethylamino)-5-methylsulfonyl-4-(trifluoromethyl)benzoic acid Openeye Name: 2-(2-furylmethylamino)-5-methylsulfonyl-4-(trifluoromethyl)benzoic acid CAS Name: 2-(2-furanylmethylamino)-5-methylsulfonyl-4-(trifluoromethyl)benzoic acid IUPAC Name: 2-(furan-2-ylmethylamino)-5-methylsulfonyl-4-(trifluoromethyl)benzoic acid Traditional Name: 2-(2-furfurylamino)-5-mesyl-4-(trifluoromethyl)benzoic acid Formula: C14H12F3NO5S MolecularWeight: 363.30899

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)NCC2=CC=CO2)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)NCC2=CC=CO2)C(F)(F)F

InChI

InChI=1S/C14H12F3NO5S/c1-24(21,22)12-5-9(13(19)20)11(6-10(12)14(15,16)17)18-7-8-3-2-4-23-8/h2-6,18H,7H2,1H3,(H,19,20)