4-(3-pyridin-3-ylpropyl)-8-[[4-(trifluoromethyl)phenyl]sulfonylamino]octanoic acid

Systemtic Name: 4-(3-pyridin-3-ylpropyl)-8-[[4-(trifluoromethyl)phenyl]sulfonylamino]octanoic acid Openeye Name: 4-[3-(3-pyridyl)propyl]-8-[[4-(trifluoromethyl)phenyl]sulfonylamino]octanoic acid CAS Name: 4-[3-(3-pyridinyl)propyl]-8-[[4-(trifluoromethyl)phenyl]sulfonylamino]octanoic acid IUPAC Name: 4-(3-pyridin-3-ylpropyl)-8-[[4-(trifluoromethyl)phenyl]sulfonylamino]octanoic acid Traditional Name: 4-[3-(3-pyridyl)propyl]-8-[[4-(trifluoromethyl)phenyl]sulfonylamino]caprylic acid Formula: C23H29F3N2O4S MolecularWeight: 486.54757

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29F3N2O4S/c24-23(25,26)20-10-12-21(13-11-20)33(31,32)28-16-2-1-5-18(9-14-22(29)30)6-3-7-19-8-4-15-27-17-19/h4,8,10-13,15,17-18,28H,1-3,5-7,9,14,16H2,(H,29,30)