3-pyridin-3-yl-3-[[3-[3-(pyridin-2-ylamino)propoxy]phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-pyridin-3-yl-3-[[3-[3-(pyridin-2-ylamino)propoxy]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-(3-pyridyl)-3-[[3-[3-(2-pyridylamino)propoxy]phenyl]sulfonylamino]propanoic acid CAS Name: 3-(3-pyridinyl)-3-[[3-[3-(2-pyridinylamino)propoxy]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-pyridin-3-yl-3-[[3-[3-(pyridin-2-ylamino)propoxy]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-(3-pyridyl)-3-[[3-[3-(2-pyridylamino)propoxy]phenyl]sulfonylamino]propionic acid Formula: C22H24N4O5S MolecularWeight: 456.51476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NCCCOC2=CC(=CC=C2)S(=O)(=O)NC(CC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1=CC=NC(=C1)NCCCOC2=CC(=CC=C2)S(=O)(=O)NC(CC(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C22H24N4O5S/c27-22(28)15-20(17-6-4-10-23-16-17)26-32(29,30)19-8-3-7-18(14-19)31-13-5-12-25-21-9-1-2-11-24-21/h1-4,6-11,14,16,20,26H,5,12-13,15H2,(H,24,25)(H,27,28)