2-[3-[[(4-pyridin-4-ylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[3-[[(4-pyridin-4-ylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid Openeye Name: 2-[3-[[[4-(4-pyridyl)phenyl]methyl-(3-pyridylsulfonyl)amino]methyl]phenoxy]acetic acid CAS Name: 2-[3-[[(4-pyridin-4-ylphenyl)methyl-(3-pyridinylsulfonyl)amino]methyl]phenoxy]acetic acid IUPAC Name: 2-[3-[[(4-pyridin-4-ylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]phenoxy]acetic acid Traditional Name: 2-[3-[[[4-(4-pyridyl)benzyl]-(3-pyridylsulfonyl)amino]methyl]phenoxy]acetic acid Formula: C26H23N3O5S MolecularWeight: 489.54292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC(=O)O)CN(CC2=CC=C(C=C2)C3=CC=NC=C3)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

C1=CC(=CC(=C1)OCC(=O)O)CN(CC2=CC=C(C=C2)C3=CC=NC=C3)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C26H23N3O5S/c30-26(31)19-34-24-4-1-3-21(15-24)18-29(35(32,33)25-5-2-12-28-16-25)17-20-6-8-22(9-7-20)23-10-13-27-14-11-23/h1-16H,17-19H2,(H,30,31)