3-[3-[[(4-pyrazol-1-ylphenyl)methyl-pyridin-2-ylsulfonyl-amino]methyl]phenyl]propanoic acid

Systemtic Name: 3-[3-[[(4-pyrazol-1-ylphenyl)methyl-pyridin-2-ylsulfonyl-amino]methyl]phenyl]propanoic acid Openeye Name: 3-[3-[[(4-pyrazol-1-ylphenyl)methyl-(2-pyridylsulfonyl)amino]methyl]phenyl]propanoic acid CAS Name: 3-[3-[[[4-(1-pyrazolyl)phenyl]methyl-(2-pyridinylsulfonyl)amino]methyl]phenyl]propanoic acid IUPAC Name: 3-[3-[[(4-pyrazol-1-ylphenyl)methyl-pyridin-2-ylsulfonylamino]methyl]phenyl]propanoic acid Traditional Name: 3-[3-[[(4-pyrazol-1-ylbenzyl)-(2-pyridylsulfonyl)amino]methyl]phenyl]propionic acid Formula: C25H24N4O4S MolecularWeight: 476.54746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)S(=O)(=O)N(CC2=CC=C(C=C2)N3C=CC=N3)CC4=CC=CC(=C4)CCC(=O)O

Isomeric SMILES

C1=CC=NC(=C1)S(=O)(=O)N(CC2=CC=C(C=C2)N3C=CC=N3)CC4=CC=CC(=C4)CCC(=O)O

InChI

InChI=1S/C25H24N4O4S/c30-25(31)13-10-20-5-3-6-22(17-20)19-28(34(32,33)24-7-1-2-14-26-24)18-21-8-11-23(12-9-21)29-16-4-15-27-29/h1-9,11-12,14-17H,10,13,18-19H2,(H,30,31)