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

Systemtic Name: 4-[[4,5-dimethyl-2-[(5-methylfuran-2-yl)sulfonyl-propyl-amino]phenoxy]methyl]benzoic acid Openeye Name: 4-[[4,5-dimethyl-2-[(5-methyl-2-furyl)sulfonyl-propyl-amino]phenoxy]methyl]benzoic acid CAS Name: 4-[[4,5-dimethyl-2-[(5-methyl-2-furanyl)sulfonyl-propylamino]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[4,5-dimethyl-2-[(5-methylfuran-2-yl)sulfonyl-propylamino]phenoxy]methyl]benzoic acid Traditional Name: 4-[[4,5-dimethyl-2-[(5-methyl-2-furyl)sulfonyl-propyl-amino]phenoxy]methyl]benzoic acid Formula: C24H27NO6S MolecularWeight: 457.53928

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=C(C=C(C(=C1)C)C)OCC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=C(O3)C

Isomeric SMILES

CCCN(C1=C(C=C(C(=C1)C)C)OCC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=C(O3)C

InChI

InChI=1S/C24H27NO6S/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/h6-11,13-14H,5,12,15H2,1-4H3,(H,26,27)