3-pyridin-3-yl-3-[[3-[4-(pyridin-2-ylamino)butoxy]phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-pyridin-3-yl-3-[[3-[4-(pyridin-2-ylamino)butoxy]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-(3-pyridyl)-3-[[3-[4-(2-pyridylamino)butoxy]phenyl]sulfonylamino]propanoic acid CAS Name: 3-(3-pyridinyl)-3-[[3-[4-(2-pyridinylamino)butoxy]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-pyridin-3-yl-3-[[3-[4-(pyridin-2-ylamino)butoxy]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-(3-pyridyl)-3-[[3-[4-(2-pyridylamino)butoxy]phenyl]sulfonylamino]propionic acid Formula: C23H26N4O5S MolecularWeight: 470.54134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NCCCCOC2=CC(=CC=C2)S(=O)(=O)NC(CC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1=CC=NC(=C1)NCCCCOC2=CC(=CC=C2)S(=O)(=O)NC(CC(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C23H26N4O5S/c28-23(29)16-21(18-7-6-11-24-17-18)27-33(30,31)20-9-5-8-19(15-20)32-14-4-3-13-26-22-10-1-2-12-25-22/h1-2,5-12,15,17,21,27H,3-4,13-14,16H2,(H,25,26)(H,28,29)