2-[3-[[pyridin-3-ylsulfonyl-[(4-pyrimidin-5-ylphenyl)methyl]amino]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[3-[[pyridin-3-ylsulfonyl-[(4-pyrimidin-5-ylphenyl)methyl]amino]methyl]phenoxy]ethanoic acid Openeye Name: 2-[3-[[3-pyridylsulfonyl-[(4-pyrimidin-5-ylphenyl)methyl]amino]methyl]phenoxy]acetic acid CAS Name: 2-[3-[[3-pyridinylsulfonyl-[[4-(5-pyrimidinyl)phenyl]methyl]amino]methyl]phenoxy]acetic acid IUPAC Name: 2-[3-[[pyridin-3-ylsulfonyl-[(4-pyrimidin-5-ylphenyl)methyl]amino]methyl]phenoxy]acetic acid Traditional Name: 2-[3-[[3-pyridylsulfonyl-[4-(5-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=CN=CN=C3)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

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

InChI

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