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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN(CC2=CC=C(C=C2)N3C=CC=N3)S(=O)(=O)C4=CN=CC=C4)CCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CN(CC2=CC=C(C=C2)N3C=CC=N3)S(=O)(=O)C4=CN=CC=C4)CCC(=O)O

InChI

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