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

Systemtic Name: 4-[[4,5-dimethyl-2-[(5-methylfuran-2-yl)sulfonyl-prop-2-enyl-amino]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[allyl-[(5-methyl-2-furyl)sulfonyl]amino]-4,5-dimethyl-phenoxy]methyl]benzoic acid CAS Name: 4-[[4,5-dimethyl-2-[(5-methyl-2-furanyl)sulfonyl-prop-2-enylamino]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[4,5-dimethyl-2-[(5-methylfuran-2-yl)sulfonyl-prop-2-enylamino]phenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[allyl-[(5-methyl-2-furyl)sulfonyl]amino]-4,5-dimethyl-phenoxy]methyl]benzoic acid Formula: C24H25NO6S MolecularWeight: 455.5234

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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=CC=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H25NO6S/c1-5-12-25(32(28,29)23-11-6-18(4)31-23)21-13-16(2)17(3)14-22(21)30-15-19-7-9-20(10-8-19)24(26)27/h5-11,13-14H,1,12,15H2,2-4H3,(H,26,27)