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

Systemtic Name: 4-[[4,5-dimethyl-2-[(5-methylfuran-2-yl)sulfonyl-propyl-amino]phenoxy]methyl]-3-methyl-benzoic acid Openeye Name: 4-[[4,5-dimethyl-2-[(5-methyl-2-furyl)sulfonyl-propyl-amino]phenoxy]methyl]-3-methyl-benzoic acid CAS Name: 4-[[4,5-dimethyl-2-[(5-methyl-2-furanyl)sulfonyl-propylamino]phenoxy]methyl]-3-methylbenzoic acid IUPAC Name: 4-[[4,5-dimethyl-2-[(5-methylfuran-2-yl)sulfonyl-propylamino]phenoxy]methyl]-3-methylbenzoic acid Traditional Name: 4-[[4,5-dimethyl-2-[(5-methyl-2-furyl)sulfonyl-propyl-amino]phenoxy]methyl]-3-methyl-benzoic acid Formula: C25H29NO6S MolecularWeight: 471.56586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO6S/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/h7-10,12-14H,6,11,15H2,1-5H3,(H,27,28)