(E)-9-pyridin-3-yl-9-[3-(pyridin-3-ylsulfonylamino)phenyl]non-8-enoic acid

Systemtic Name: (E)-9-pyridin-3-yl-9-[3-(pyridin-3-ylsulfonylamino)phenyl]non-8-enoic acid Openeye Name: (E)-9-(3-pyridyl)-9-[3-(3-pyridylsulfonylamino)phenyl]non-8-enoic acid CAS Name: (E)-9-(3-pyridinyl)-9-[3-(3-pyridinylsulfonylamino)phenyl]-8-nonenoic acid IUPAC Name: (E)-9-pyridin-3-yl-9-[3-(pyridin-3-ylsulfonylamino)phenyl]non-8-enoic acid Traditional Name: (E)-9-(3-pyridyl)-9-[3-(3-pyridylsulfonylamino)phenyl]non-8-enoic acid Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NS(=O)(=O)C2=CN=CC=C2)C(=CCCCCCCC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1=CC(=CC(=C1)NS(=O)(=O)C2=CN=CC=C2)/C(=C\CCCCCCC(=O)O)/C3=CN=CC=C3

InChI

InChI=1S/C25H27N3O4S/c29-25(30)14-5-3-1-2-4-13-24(21-10-7-15-26-18-21)20-9-6-11-22(17-20)28-33(31,32)23-12-8-16-27-19-23/h6-13,15-19,28H,1-5,14H2,(H,29,30)/b24-13+