5-methylfuran-2-sulfonamide; 3-methyl-4-[[3-(2-methylpropyl)naphthalen-2-yl]oxymethyl]benzoic acid

Systemtic Name: 5-methylfuran-2-sulfonamide; 3-methyl-4-[[3-(2-methylpropyl)naphthalen-2-yl]oxymethyl]benzoic acid Openeye Name: 4-[(3-isobutyl-2-naphthyl)oxymethyl]-3-methyl-benzoic acid; 5-methylfuran-2-sulfonamide CAS Name: 5-methyl-2-furansulfonamide; 3-methyl-4-[[3-(2-methylpropyl)-2-naphthalenyl]oxymethyl]benzoic acid IUPAC Name: 5-methylfuran-2-sulfonamide; 3-methyl-4-[[3-(2-methylpropyl)naphthalen-2-yl]oxymethyl]benzoic acid Traditional Name: 4-[(3-isobutyl-2-naphthoxy)methyl]-3-methyl-benzoic acid; 5-methylfuran-2-sulfonamide Formula: C28H31NO6S MolecularWeight: 509.61384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)S(=O)(=O)N.CC1=C(C=CC(=C1)C(=O)O)COC2=CC3=CC=CC=C3C=C2CC(C)C

Isomeric SMILES

CC1=CC=C(O1)S(=O)(=O)N.CC1=C(C=CC(=C1)C(=O)O)COC2=CC3=CC=CC=C3C=C2CC(C)C

InChI

InChI=1S/C23H24O3.C5H7NO3S/c1-15(2)10-21-12-17-6-4-5-7-18(17)13-22(21)26-14-20-9-8-19(23(24)25)11-16(20)3;1-4-2-3-5(9-4)10(6,7)8/h4-9,11-13,15H,10,14H2,1-3H3,(H,24,25);2-3H,1H3,(H2,6,7,8)