5-methyl-N-(2-methyl-2-oxidanyl-propyl)furan-2-sulfonamide; 3,4,5-trimethyl-2-(phenoxymethyl)benzoic acid

Systemtic Name: 5-methyl-N-(2-methyl-2-oxidanyl-propyl)furan-2-sulfonamide; 3,4,5-trimethyl-2-(phenoxymethyl)benzoic acid Openeye Name: N-(2-hydroxy-2-methyl-propyl)-5-methyl-furan-2-sulfonamide; 3,4,5-trimethyl-2-(phenoxymethyl)benzoic acid CAS Name: N-(2-hydroxy-2-methylpropyl)-5-methyl-2-furansulfonamide; 3,4,5-trimethyl-2-(phenoxymethyl)benzoic acid IUPAC Name: N-(2-hydroxy-2-methylpropyl)-5-methylfuran-2-sulfonamide; 3,4,5-trimethyl-2-(phenoxymethyl)benzoic acid Traditional Name: N-(2-hydroxy-2-methyl-propyl)-5-methyl-furan-2-sulfonamide; 3,4,5-trimethyl-2-(phenoxymethyl)benzoic acid Formula: C26H33NO7S MolecularWeight: 503.60772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18O3.C9H15NO4S/c1-11-9-15(17(18)19)16(13(3)12(11)2)10-20-14-7-5-4-6-8-14;1-7-4-5-8(14-7)15(12,13)10-6-9(2,3)11/h4-9H,10H2,1-3H3,(H,18,19);4-5,10-11H,6H2,1-3H3