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

Systemtic Name: 5-methyl-N-prop-2-enyl-furan-2-sulfonamide; 3,4,5-trimethyl-2-(phenoxymethyl)benzoic acid Openeye Name: N-allyl-5-methyl-furan-2-sulfonamide; 3,4,5-trimethyl-2-(phenoxymethyl)benzoic acid CAS Name: 5-methyl-N-prop-2-enyl-2-furansulfonamide; 3,4,5-trimethyl-2-(phenoxymethyl)benzoic acid IUPAC Name: 5-methyl-N-prop-2-enylfuran-2-sulfonamide; 3,4,5-trimethyl-2-(phenoxymethyl)benzoic acid Traditional Name: N-allyl-5-methyl-furan-2-sulfonamide; 3,4,5-trimethyl-2-(phenoxymethyl)benzoic acid Formula: C25H29NO6S MolecularWeight: 471.56586

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C17H18O3.C8H11NO3S/c1-11-9-15(17(18)19)16(13(3)12(11)2)10-20-14-7-5-4-6-8-14;1-3-6-9-13(10,11)8-5-4-7(2)12-8/h4-9H,10H2,1-3H3,(H,18,19);3-5,9H,1,6H2,2H3