2-(3-pyridin-3-ylpropyl)-6-[[4-(trifluoromethyl)phenyl]sulfonylamino]hexanoic acid

Systemtic Name: 2-(3-pyridin-3-ylpropyl)-6-[[4-(trifluoromethyl)phenyl]sulfonylamino]hexanoic acid Openeye Name: 2-[3-(3-pyridyl)propyl]-6-[[4-(trifluoromethyl)phenyl]sulfonylamino]hexanoic acid CAS Name: 2-[3-(3-pyridinyl)propyl]-6-[[4-(trifluoromethyl)phenyl]sulfonylamino]hexanoic acid IUPAC Name: 2-(3-pyridin-3-ylpropyl)-6-[[4-(trifluoromethyl)phenyl]sulfonylamino]hexanoic acid Traditional Name: 2-[3-(3-pyridyl)propyl]-6-[[4-(trifluoromethyl)phenyl]sulfonylamino]hexanoic acid Formula: C21H25F3N2O4S MolecularWeight: 458.49441

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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)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H25F3N2O4S/c22-21(23,24)18-9-11-19(12-10-18)31(29,30)26-14-2-1-7-17(20(27)28)8-3-5-16-6-4-13-25-15-16/h4,6,9-13,15,17,26H,1-3,5,7-8,14H2,(H,27,28)