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

Systemtic Name: 3-[3-[[pyridin-2-ylsulfonyl-[(4-pyrimidin-2-ylphenyl)methyl]amino]methyl]phenyl]propanoic acid Openeye Name: 3-[3-[[2-pyridylsulfonyl-[(4-pyrimidin-2-ylphenyl)methyl]amino]methyl]phenyl]propanoic acid CAS Name: 3-[3-[[2-pyridinylsulfonyl-[[4-(2-pyrimidinyl)phenyl]methyl]amino]methyl]phenyl]propanoic acid IUPAC Name: 3-[3-[[pyridin-2-ylsulfonyl-[(4-pyrimidin-2-ylphenyl)methyl]amino]methyl]phenyl]propanoic acid Traditional Name: 3-[3-[[2-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=NC(=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C3=NC=CC=N3)CC4=CC=CC(=C4)CCC(=O)O

Isomeric SMILES

C1=CC=NC(=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C3=NC=CC=N3)CC4=CC=CC(=C4)CCC(=O)O

InChI

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