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

Systemtic Name: 6-(pyridin-3-ylmethyl)-8-[[4-(trifluoromethyl)phenyl]sulfonylamino]octanoic acid Openeye Name: 6-(3-pyridylmethyl)-8-[[4-(trifluoromethyl)phenyl]sulfonylamino]octanoic acid CAS Name: 6-(3-pyridinylmethyl)-8-[[4-(trifluoromethyl)phenyl]sulfonylamino]octanoic acid IUPAC Name: 6-(pyridin-3-ylmethyl)-8-[[4-(trifluoromethyl)phenyl]sulfonylamino]octanoic acid Traditional Name: 6-(3-pyridylmethyl)-8-[[4-(trifluoromethyl)phenyl]sulfonylamino]caprylic acid Formula: C21H25F3N2O4S MolecularWeight: 458.49441

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC(CCCCC(=O)O)CCNS(=O)(=O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

C1=CC(=CN=C1)CC(CCCCC(=O)O)CCNS(=O)(=O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C21H25F3N2O4S/c22-21(23,24)18-7-9-19(10-8-18)31(29,30)26-13-11-16(4-1-2-6-20(27)28)14-17-5-3-12-25-15-17/h3,5,7-10,12,15-16,26H,1-2,4,6,11,13-14H2,(H,27,28)