5-methyl-N-(2-methylpropyl)furan-2-sulfonamide; 3-methyl-2-(naphthalen-2-yloxymethyl)benzoic acid

Systemtic Name: 5-methyl-N-(2-methylpropyl)furan-2-sulfonamide; 3-methyl-2-(naphthalen-2-yloxymethyl)benzoic acid Openeye Name: N-isobutyl-5-methyl-furan-2-sulfonamide; 3-methyl-2-(2-naphthyloxymethyl)benzoic acid CAS Name: 5-methyl-N-(2-methylpropyl)-2-furansulfonamide; 3-methyl-2-(2-naphthalenyloxymethyl)benzoic acid IUPAC Name: 5-methyl-N-(2-methylpropyl)furan-2-sulfonamide; 3-methyl-2-(naphthalen-2-yloxymethyl)benzoic acid Traditional Name: N-isobutyl-5-methyl-furan-2-sulfonamide; 3-methyl-2-(2-naphthoxymethyl)benzoic acid Formula: C28H31NO6S MolecularWeight: 509.61384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1COC2=CC3=CC=CC=C3C=C2)C(=O)O.CC1=CC=C(O1)S(=O)(=O)NCC(C)C

Isomeric SMILES

CC1=CC=CC(=C1COC2=CC3=CC=CC=C3C=C2)C(=O)O.CC1=CC=C(O1)S(=O)(=O)NCC(C)C

InChI

InChI=1S/C19H16O3.C9H15NO3S/c1-13-5-4-8-17(19(20)21)18(13)12-22-16-10-9-14-6-2-3-7-15(14)11-16;1-7(2)6-10-14(11,12)9-5-4-8(3)13-9/h2-11H,12H2,1H3,(H,20,21);4-5,7,10H,6H2,1-3H3