2-[3-[[phenylsulfonyl-[(4-pyrimidin-2-ylphenyl)methyl]amino]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[3-[[phenylsulfonyl-[(4-pyrimidin-2-ylphenyl)methyl]amino]methyl]phenoxy]ethanoic acid Openeye Name: 2-[3-[[benzenesulfonyl-[(4-pyrimidin-2-ylphenyl)methyl]amino]methyl]phenoxy]acetic acid CAS Name: 2-[3-[[benzenesulfonyl-[[4-(2-pyrimidinyl)phenyl]methyl]amino]methyl]phenoxy]acetic acid IUPAC Name: 2-[3-[[benzenesulfonyl-[(4-pyrimidin-2-ylphenyl)methyl]amino]methyl]phenoxy]acetic acid Traditional Name: 2-[3-[[besyl-[4-(2-pyrimidyl)benzyl]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)S(=O)(=O)N(CC2=CC=C(C=C2)C3=NC=CC=N3)CC4=CC(=CC=C4)OCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C3=NC=CC=N3)CC4=CC(=CC=C4)OCC(=O)O

InChI

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