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

Systemtic Name: 3-[3-[[pyridin-3-ylsulfonyl-[(4-pyrimidin-5-ylphenyl)methyl]amino]methyl]phenyl]propanoic acid Openeye Name: 3-[3-[[3-pyridylsulfonyl-[(4-pyrimidin-5-ylphenyl)methyl]amino]methyl]phenyl]propanoic acid CAS Name: 3-[3-[[3-pyridinylsulfonyl-[[4-(5-pyrimidinyl)phenyl]methyl]amino]methyl]phenyl]propanoic acid IUPAC Name: 3-[3-[[pyridin-3-ylsulfonyl-[(4-pyrimidin-5-ylphenyl)methyl]amino]methyl]phenyl]propanoic acid Traditional Name: 3-[3-[[3-pyridylsulfonyl-[4-(5-pyrimidyl)benzyl]amino]methyl]phenyl]propionic acid Formula: C26H24N4O4S MolecularWeight: 488.55816

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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)CCC(=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)CCC(=O)O

InChI

InChI=1S/C26H24N4O4S/c31-26(32)11-8-20-3-1-4-22(13-20)18-30(35(33,34)25-5-2-12-27-16-25)17-21-6-9-23(10-7-21)24-14-28-19-29-15-24/h1-7,9-10,12-16,19H,8,11,17-18H2,(H,31,32)