5-methyl-N-propan-2-yl-furan-2-sulfonamide; 2-[[3-(trifluoromethyl)phenoxy]methyl]benzoic acid

Systemtic Name: 5-methyl-N-propan-2-yl-furan-2-sulfonamide; 2-[[3-(trifluoromethyl)phenoxy]methyl]benzoic acid Openeye Name: N-isopropyl-5-methyl-furan-2-sulfonamide; 2-[[3-(trifluoromethyl)phenoxy]methyl]benzoic acid CAS Name: 5-methyl-N-propan-2-yl-2-furansulfonamide; 2-[[3-(trifluoromethyl)phenoxy]methyl]benzoic acid IUPAC Name: 5-methyl-N-propan-2-ylfuran-2-sulfonamide; 2-[[3-(trifluoromethyl)phenoxy]methyl]benzoic acid Traditional Name: N-isopropyl-5-methyl-furan-2-sulfonamide; 2-[[3-(trifluoromethyl)phenoxy]methyl]benzoic acid Formula: C23H24F3NO6S MolecularWeight: 499.49997

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)S(=O)(=O)NC(C)C.C1=CC=C(C(=C1)COC2=CC=CC(=C2)C(F)(F)F)C(=O)O

Isomeric SMILES

CC1=CC=C(O1)S(=O)(=O)NC(C)C.C1=CC=C(C(=C1)COC2=CC=CC(=C2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C15H11F3O3.C8H13NO3S/c16-15(17,18)11-5-3-6-12(8-11)21-9-10-4-1-2-7-13(10)14(19)20;1-6(2)9-13(10,11)8-5-4-7(3)12-8/h1-8H,9H2,(H,19,20);4-6,9H,1-3H3