5-(2-pyridin-3-ylethyl)-8-[[4-(trifluoromethyl)phenyl]sulfonylamino]octanoic acid

Systemtic Name: 5-(2-pyridin-3-ylethyl)-8-[[4-(trifluoromethyl)phenyl]sulfonylamino]octanoic acid Openeye Name: 5-[2-(3-pyridyl)ethyl]-8-[[4-(trifluoromethyl)phenyl]sulfonylamino]octanoic acid CAS Name: 5-[2-(3-pyridinyl)ethyl]-8-[[4-(trifluoromethyl)phenyl]sulfonylamino]octanoic acid IUPAC Name: 5-(2-pyridin-3-ylethyl)-8-[[4-(trifluoromethyl)phenyl]sulfonylamino]octanoic acid Traditional Name: 5-[2-(3-pyridyl)ethyl]-8-[[4-(trifluoromethyl)phenyl]sulfonylamino]caprylic acid Formula: C22H27F3N2O4S MolecularWeight: 472.52099

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CCC(CCCC(=O)O)CCCNS(=O)(=O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

C1=CC(=CN=C1)CCC(CCCC(=O)O)CCCNS(=O)(=O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C22H27F3N2O4S/c23-22(24,25)19-10-12-20(13-11-19)32(30,31)27-15-3-5-17(4-1-7-21(28)29)8-9-18-6-2-14-26-16-18/h2,6,10-14,16-17,27H,1,3-5,7-9,15H2,(H,28,29)