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

Systemtic Name: 3-methyl-4-[[3-[(5-methylfuran-2-yl)sulfonyl-(2-methylpropyl)amino]naphthalen-2-yl]oxymethyl]benzoic acid Openeye Name: 4-[[3-[isobutyl-[(5-methyl-2-furyl)sulfonyl]amino]-2-naphthyl]oxymethyl]-3-methyl-benzoic acid CAS Name: 3-methyl-4-[[3-[(5-methyl-2-furanyl)sulfonyl-(2-methylpropyl)amino]-2-naphthalenyl]oxymethyl]benzoic acid IUPAC Name: 3-methyl-4-[[3-[(5-methylfuran-2-yl)sulfonyl-(2-methylpropyl)amino]naphthalen-2-yl]oxymethyl]benzoic acid Traditional Name: 4-[[3-[isobutyl-[(5-methyl-2-furyl)sulfonyl]amino]-2-naphthoxy]methyl]-3-methyl-benzoic acid Formula: C28H29NO6S MolecularWeight: 507.59796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)S(=O)(=O)N(CC(C)C)C2=CC3=CC=CC=C3C=C2OCC4=C(C=C(C=C4)C(=O)O)C

Isomeric SMILES

CC1=CC=C(O1)S(=O)(=O)N(CC(C)C)C2=CC3=CC=CC=C3C=C2OCC4=C(C=C(C=C4)C(=O)O)C

InChI

InChI=1S/C28H29NO6S/c1-18(2)16-29(36(32,33)27-12-9-20(4)35-27)25-14-21-7-5-6-8-22(21)15-26(25)34-17-24-11-10-23(28(30)31)13-19(24)3/h5-15,18H,16-17H2,1-4H3,(H,30,31)