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

Systemtic Name: 3-phenyl-3-[[3-[4-(pyridin-2-ylamino)butoxy]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-phenyl-3-[[3-[4-(2-pyridylamino)butoxy]phenyl]sulfonylamino]propanoic acid CAS Name: 3-phenyl-3-[[3-[4-(2-pyridinylamino)butoxy]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-phenyl-3-[[3-[4-(pyridin-2-ylamino)butoxy]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-phenyl-3-[[3-[4-(2-pyridylamino)butoxy]phenyl]sulfonylamino]propionic acid Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)NS(=O)(=O)C2=CC=CC(=C2)OCCCCNC3=CC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)NS(=O)(=O)C2=CC=CC(=C2)OCCCCNC3=CC=CC=N3

InChI

InChI=1S/C24H27N3O5S/c28-24(29)18-22(19-9-2-1-3-10-19)27-33(30,31)21-12-8-11-20(17-21)32-16-7-6-15-26-23-13-4-5-14-25-23/h1-5,8-14,17,22,27H,6-7,15-16,18H2,(H,25,26)(H,28,29)