4-[[4,5-dimethyl-2-[(5-methylfuran-2-yl)sulfonyl-prop-2-enyl-amino]phenoxy]methyl]-3-methyl-benzoic acid

Systemtic Name: 4-[[4,5-dimethyl-2-[(5-methylfuran-2-yl)sulfonyl-prop-2-enyl-amino]phenoxy]methyl]-3-methyl-benzoic acid Openeye Name: 4-[[2-[allyl-[(5-methyl-2-furyl)sulfonyl]amino]-4,5-dimethyl-phenoxy]methyl]-3-methyl-benzoic acid CAS Name: 4-[[4,5-dimethyl-2-[(5-methyl-2-furanyl)sulfonyl-prop-2-enylamino]phenoxy]methyl]-3-methylbenzoic acid IUPAC Name: 4-[[4,5-dimethyl-2-[(5-methylfuran-2-yl)sulfonyl-prop-2-enylamino]phenoxy]methyl]-3-methylbenzoic acid Traditional Name: 4-[[2-[allyl-[(5-methyl-2-furyl)sulfonyl]amino]-4,5-dimethyl-phenoxy]methyl]-3-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(CC=C)C2=C(C=C(C(=C2)C)C)OCC3=C(C=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1=CC=C(O1)S(=O)(=O)N(CC=C)C2=C(C=C(C(=C2)C)C)OCC3=C(C=C(C=C3)C(=O)O)C

InChI

InChI=1S/C25H27NO6S/c1-6-11-26(33(29,30)24-10-7-19(5)32-24)22-13-16(2)17(3)14-23(22)31-15-21-9-8-20(25(27)28)12-18(21)4/h6-10,12-14H,1,11,15H2,2-5H3,(H,27,28)