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

Systemtic Name: 2-[3-[[(4-pyrazin-2-ylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[(4-pyrazin-2-ylphenyl)methyl-(3-pyridylsulfonyl)amino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[[4-(2-pyrazinyl)phenyl]methyl-(3-pyridinylsulfonyl)amino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[(4-pyrazin-2-ylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[(4-pyrazin-2-ylbenzyl)-(3-pyridylsulfonyl)amino]methyl]phenyl]acetic acid Formula: C25H22N4O4S MolecularWeight: 474.53158

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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)CC(=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)CC(=O)O

InChI

InChI=1S/C25H22N4O4S/c30-25(31)14-20-3-1-4-21(13-20)18-29(34(32,33)23-5-2-10-26-15-23)17-19-6-8-22(9-7-19)24-16-27-11-12-28-24/h1-13,15-16H,14,17-18H2,(H,30,31)