7-pyridin-3-yl-8-(pyridin-3-ylsulfonylamino)octanoic acid

Systemtic Name: 7-pyridin-3-yl-8-(pyridin-3-ylsulfonylamino)octanoic acid Openeye Name: 7-(3-pyridyl)-8-(3-pyridylsulfonylamino)octanoic acid CAS Name: 7-(3-pyridinyl)-8-(3-pyridinylsulfonylamino)octanoic acid IUPAC Name: 7-pyridin-3-yl-8-(pyridin-3-ylsulfonylamino)octanoic acid Traditional Name: 7-(3-pyridyl)-8-(3-pyridylsulfonylamino)caprylic acid Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(CCCCCC(=O)O)CNS(=O)(=O)C2=CN=CC=C2

Isomeric SMILES

C1=CC(=CN=C1)C(CCCCCC(=O)O)CNS(=O)(=O)C2=CN=CC=C2

InChI

InChI=1S/C18H23N3O4S/c22-18(23)9-3-1-2-6-16(15-7-4-10-19-12-15)13-21-26(24,25)17-8-5-11-20-14-17/h4-5,7-8,10-12,14,16,21H,1-3,6,9,13H2,(H,22,23)