2-[5-[4-[[[2,4-bis(fluoranyl)phenyl]methyl-[2-methyl-3-(methylsulfonylamino)phenyl]amino]methyl]phenoxy]-2-hexyl-phenoxy]ethanoic acid

Systemtic Name: 2-[5-[4-[[[2,4-bis(fluoranyl)phenyl]methyl-[2-methyl-3-(methylsulfonylamino)phenyl]amino]methyl]phenoxy]-2-hexyl-phenoxy]ethanoic acid Openeye Name: 2-[5-[4-[[N-[(2,4-difluorophenyl)methyl]-3-(methanesulfonamido)-2-methyl-anilino]methyl]phenoxy]-2-hexyl-phenoxy]acetic acid CAS Name: 2-[5-[4-[[N-[(2,4-difluorophenyl)methyl]-3-(methanesulfonamido)-2-methylanilino]methyl]phenoxy]-2-hexylphenoxy]acetic acid IUPAC Name: 2-[5-[4-[[N-[(2,4-difluorophenyl)methyl]-3-(methanesulfonamido)-2-methylanilino]methyl]phenoxy]-2-hexylphenoxy]acetic acid Traditional Name: 2-[5-[4-[[N-(2,4-difluorobenzyl)-3-(methanesulfonamido)-2-methyl-anilino]methyl]phenoxy]-2-hexyl-phenoxy]acetic acid Formula: C36H40F2N2O6S MolecularWeight: 666.774406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C(C=C1)OC2=CC=C(C=C2)CN(CC3=C(C=C(C=C3)F)F)C4=CC=CC(=C4C)NS(=O)(=O)C)OCC(=O)O

Isomeric SMILES

CCCCCCC1=C(C=C(C=C1)OC2=CC=C(C=C2)CN(CC3=C(C=C(C=C3)F)F)C4=CC=CC(=C4C)NS(=O)(=O)C)OCC(=O)O

InChI

InChI=1S/C36H40F2N2O6S/c1-4-5-6-7-9-27-15-19-31(21-35(27)45-24-36(41)42)46-30-17-12-26(13-18-30)22-40(23-28-14-16-29(37)20-32(28)38)34-11-8-10-33(25(34)2)39-47(3,43)44/h8,10-21,39H,4-7,9,22-24H2,1-3H3,(H,41,42)