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

Systemtic Name: 3-[3-[[pyridin-3-ylsulfonyl-[(4-pyrimidin-2-ylphenyl)methyl]amino]methyl]phenyl]propanoic acid Openeye Name: 3-[3-[[3-pyridylsulfonyl-[(4-pyrimidin-2-ylphenyl)methyl]amino]methyl]phenyl]propanoic acid CAS Name: 3-[3-[[3-pyridinylsulfonyl-[[4-(2-pyrimidinyl)phenyl]methyl]amino]methyl]phenyl]propanoic acid IUPAC Name: 3-[3-[[pyridin-3-ylsulfonyl-[(4-pyrimidin-2-ylphenyl)methyl]amino]methyl]phenyl]propanoic acid Traditional Name: 3-[3-[[3-pyridylsulfonyl-[4-(2-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=NC=CC=N3)S(=O)(=O)C4=CN=CC=C4)CCC(=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)CCC(=O)O

InChI

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