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

Systemtic Name: 2-[3-[[pyridin-3-ylsulfonyl-[(4-pyrimidin-2-ylphenyl)methyl]amino]methyl]phenoxy]ethanoic acid Openeye Name: 2-[3-[[3-pyridylsulfonyl-[(4-pyrimidin-2-ylphenyl)methyl]amino]methyl]phenoxy]acetic acid CAS Name: 2-[3-[[3-pyridinylsulfonyl-[[4-(2-pyrimidinyl)phenyl]methyl]amino]methyl]phenoxy]acetic acid IUPAC Name: 2-[3-[[pyridin-3-ylsulfonyl-[(4-pyrimidin-2-ylphenyl)methyl]amino]methyl]phenoxy]acetic acid Traditional Name: 2-[3-[[3-pyridylsulfonyl-[4-(2-pyrimidyl)benzyl]amino]methyl]phenoxy]acetic acid Formula: C25H22N4O5S MolecularWeight: 490.53098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N4O5S/c30-24(31)18-34-22-5-1-4-20(14-22)17-29(35(32,33)23-6-2-11-26-15-23)16-19-7-9-21(10-8-19)25-27-12-3-13-28-25/h1-15H,16-18H2,(H,30,31)