N,5-dimethylfuran-2-sulfonamide; 3,4,5-trimethyl-2-(phenoxymethyl)benzoic acid

Systemtic Name: N,5-dimethylfuran-2-sulfonamide; 3,4,5-trimethyl-2-(phenoxymethyl)benzoic acid Openeye Name: N,5-dimethylfuran-2-sulfonamide; 3,4,5-trimethyl-2-(phenoxymethyl)benzoic acid CAS Name: N,5-dimethyl-2-furansulfonamide; 3,4,5-trimethyl-2-(phenoxymethyl)benzoic acid IUPAC Name: N,5-dimethylfuran-2-sulfonamide; 3,4,5-trimethyl-2-(phenoxymethyl)benzoic acid Traditional Name: N,5-dimethylfuran-2-sulfonamide; 3,4,5-trimethyl-2-(phenoxymethyl)benzoic acid Formula: C23H27NO6S MolecularWeight: 445.52858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18O3.C6H9NO3S/c1-11-9-15(17(18)19)16(13(3)12(11)2)10-20-14-7-5-4-6-8-14;1-5-3-4-6(10-5)11(8,9)7-2/h4-9H,10H2,1-3H3,(H,18,19);3-4,7H,1-2H3