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

Systemtic Name: 3-phenyl-3-[[3-[3-(pyridin-2-ylamino)propoxy]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-phenyl-3-[[3-[3-(2-pyridylamino)propoxy]phenyl]sulfonylamino]propanoic acid CAS Name: 3-phenyl-3-[[3-[3-(2-pyridinylamino)propoxy]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-phenyl-3-[[3-[3-(pyridin-2-ylamino)propoxy]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-phenyl-3-[[3-[3-(2-pyridylamino)propoxy]phenyl]sulfonylamino]propionic acid Formula: C23H25N3O5S MolecularWeight: 455.5267

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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)OCCCNC3=CC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)NS(=O)(=O)C2=CC=CC(=C2)OCCCNC3=CC=CC=N3

InChI

InChI=1S/C23H25N3O5S/c27-23(28)17-21(18-8-2-1-3-9-18)26-32(29,30)20-11-6-10-19(16-20)31-15-7-14-25-22-12-4-5-13-24-22/h1-6,8-13,16,21,26H,7,14-15,17H2,(H,24,25)(H,27,28)