3,5-dimethyl-4-[[2-[(5-methylfuran-2-yl)sulfonyl-(2-methylpropyl)amino]-5-(trifluoromethyl)phenoxy]methyl]benzoic acid

Systemtic Name: 3,5-dimethyl-4-[[2-[(5-methylfuran-2-yl)sulfonyl-(2-methylpropyl)amino]-5-(trifluoromethyl)phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[isobutyl-[(5-methyl-2-furyl)sulfonyl]amino]-5-(trifluoromethyl)phenoxy]methyl]-3,5-dimethyl-benzoic acid CAS Name: 3,5-dimethyl-4-[[2-[(5-methyl-2-furanyl)sulfonyl-(2-methylpropyl)amino]-5-(trifluoromethyl)phenoxy]methyl]benzoic acid IUPAC Name: 3,5-dimethyl-4-[[2-[(5-methylfuran-2-yl)sulfonyl-(2-methylpropyl)amino]-5-(trifluoromethyl)phenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[isobutyl-[(5-methyl-2-furyl)sulfonyl]amino]-5-(trifluoromethyl)phenoxy]methyl]-3,5-dimethyl-benzoic acid Formula: C26H28F3NO6S MolecularWeight: 539.56383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)S(=O)(=O)N(CC(C)C)C2=C(C=C(C=C2)C(F)(F)F)OCC3=C(C=C(C=C3C)C(=O)O)C

Isomeric SMILES

CC1=CC=C(O1)S(=O)(=O)N(CC(C)C)C2=C(C=C(C=C2)C(F)(F)F)OCC3=C(C=C(C=C3C)C(=O)O)C

InChI

InChI=1S/C26H28F3NO6S/c1-15(2)13-30(37(33,34)24-9-6-18(5)36-24)22-8-7-20(26(27,28)29)12-23(22)35-14-21-16(3)10-19(25(31)32)11-17(21)4/h6-12,15H,13-14H2,1-5H3,(H,31,32)