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

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

Isomeric SMILES

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

InChI

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