4-[[2-[cyclopropylmethyl-(5-methylfuran-2-yl)sulfonyl-amino]-4,5-dimethyl-phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[2-[cyclopropylmethyl-(5-methylfuran-2-yl)sulfonyl-amino]-4,5-dimethyl-phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[cyclopropylmethyl-[(5-methyl-2-furyl)sulfonyl]amino]-4,5-dimethyl-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[cyclopropylmethyl-[(5-methyl-2-furanyl)sulfonyl]amino]-4,5-dimethylphenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[cyclopropylmethyl-(5-methylfuran-2-yl)sulfonylamino]-4,5-dimethylphenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[cyclopropylmethyl-[(5-methyl-2-furyl)sulfonyl]amino]-4,5-dimethyl-phenoxy]methyl]benzoic acid Formula: C25H27NO6S MolecularWeight: 469.54998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)S(=O)(=O)N(CC2CC2)C3=C(C=C(C(=C3)C)C)OCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(O1)S(=O)(=O)N(CC2CC2)C3=C(C=C(C(=C3)C)C)OCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H27NO6S/c1-16-12-22(26(14-19-5-6-19)33(29,30)24-11-4-18(3)32-24)23(13-17(16)2)31-15-20-7-9-21(10-8-20)25(27)28/h4,7-13,19H,5-6,14-15H2,1-3H3,(H,27,28)