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

Systemtic Name: 2-[3-[[pyridin-3-ylsulfonyl-[(4-pyrimidin-2-ylphenyl)methyl]amino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[3-pyridylsulfonyl-[(4-pyrimidin-2-ylphenyl)methyl]amino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[3-pyridinylsulfonyl-[[4-(2-pyrimidinyl)phenyl]methyl]amino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[pyridin-3-ylsulfonyl-[(4-pyrimidin-2-ylphenyl)methyl]amino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[3-pyridylsulfonyl-[4-(2-pyrimidyl)benzyl]amino]methyl]phenyl]acetic acid Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N4O4S/c30-24(31)15-20-4-1-5-21(14-20)18-29(34(32,33)23-6-2-11-26-16-23)17-19-7-9-22(10-8-19)25-27-12-3-13-28-25/h1-14,16H,15,17-18H2,(H,30,31)