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

Systemtic Name: 3-(4-pyridin-3-ylbutyl)-8-[[4-(trifluoromethyl)phenyl]sulfonylamino]octanoic acid Openeye Name: 3-[4-(3-pyridyl)butyl]-8-[[4-(trifluoromethyl)phenyl]sulfonylamino]octanoic acid CAS Name: 3-[4-(3-pyridinyl)butyl]-8-[[4-(trifluoromethyl)phenyl]sulfonylamino]octanoic acid IUPAC Name: 3-(4-pyridin-3-ylbutyl)-8-[[4-(trifluoromethyl)phenyl]sulfonylamino]octanoic acid Traditional Name: 3-[4-(3-pyridyl)butyl]-8-[[4-(trifluoromethyl)phenyl]sulfonylamino]caprylic acid Formula: C24H31F3N2O4S MolecularWeight: 500.57415

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31F3N2O4S/c25-24(26,27)21-11-13-22(14-12-21)34(32,33)29-16-5-1-2-7-19(17-23(30)31)8-3-4-9-20-10-6-15-28-18-20/h6,10-15,18-19,29H,1-5,7-9,16-17H2,(H,30,31)