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

Systemtic Name: 4-[[4,5-dimethyl-2-[methyl-(5-methylfuran-2-yl)sulfonyl-amino]phenoxy]methyl]benzoic acid Openeye Name: 4-[[4,5-dimethyl-2-[methyl-[(5-methyl-2-furyl)sulfonyl]amino]phenoxy]methyl]benzoic acid CAS Name: 4-[[4,5-dimethyl-2-[methyl-[(5-methyl-2-furanyl)sulfonyl]amino]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[4,5-dimethyl-2-[methyl-(5-methylfuran-2-yl)sulfonylamino]phenoxy]methyl]benzoic acid Traditional Name: 4-[[4,5-dimethyl-2-[methyl-[(5-methyl-2-furyl)sulfonyl]amino]phenoxy]methyl]benzoic acid Formula: C22H23NO6S MolecularWeight: 429.48612

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H23NO6S/c1-14-11-19(23(4)30(26,27)21-10-5-16(3)29-21)20(12-15(14)2)28-13-17-6-8-18(9-7-17)22(24)25/h5-12H,13H2,1-4H3,(H,24,25)