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

Systemtic Name: 3-[3-[[(4-pyrazin-2-ylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenyl]propanoic acid Openeye Name: 3-[3-[[(4-pyrazin-2-ylphenyl)methyl-(3-pyridylsulfonyl)amino]methyl]phenyl]propanoic acid CAS Name: 3-[3-[[[4-(2-pyrazinyl)phenyl]methyl-(3-pyridinylsulfonyl)amino]methyl]phenyl]propanoic acid IUPAC Name: 3-[3-[[(4-pyrazin-2-ylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]phenyl]propanoic acid Traditional Name: 3-[3-[[(4-pyrazin-2-ylbenzyl)-(3-pyridylsulfonyl)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=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=NC=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(15-20)19-30(35(33,34)24-5-2-12-27-16-24)18-21-6-9-23(10-7-21)25-17-28-13-14-29-25/h1-7,9-10,12-17H,8,11,18-19H2,(H,31,32)