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

Systemtic Name: 3-[3-[[(4-pyrazin-2-ylphenyl)methyl-pyridin-2-ylsulfonyl-amino]methyl]phenyl]propanoic acid Openeye Name: 3-[3-[[(4-pyrazin-2-ylphenyl)methyl-(2-pyridylsulfonyl)amino]methyl]phenyl]propanoic acid CAS Name: 3-[3-[[[4-(2-pyrazinyl)phenyl]methyl-(2-pyridinylsulfonyl)amino]methyl]phenyl]propanoic acid IUPAC Name: 3-[3-[[(4-pyrazin-2-ylphenyl)methyl-pyridin-2-ylsulfonylamino]methyl]phenyl]propanoic acid Traditional Name: 3-[3-[[(4-pyrazin-2-ylbenzyl)-(2-pyridylsulfonyl)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=CN=C3)CC4=CC=CC(=C4)CCC(=O)O

Isomeric SMILES

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

InChI

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