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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=NC=C2)(NCC3=CC(=CC=C3)OCC(=O)O)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=NC=C2)(NCC3=CC(=CC=C3)OCC(=O)O)S(=O)(=O)C4=CN=CC=C4

InChI

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