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

Systemtic Name: 8-[(4-fluorophenyl)sulfonylamino]-5-(2-pyridin-3-ylethyl)octanoic acid Openeye Name: 8-[(4-fluorophenyl)sulfonylamino]-5-[2-(3-pyridyl)ethyl]octanoic acid CAS Name: 8-[(4-fluorophenyl)sulfonylamino]-5-[2-(3-pyridinyl)ethyl]octanoic acid IUPAC Name: 8-[(4-fluorophenyl)sulfonylamino]-5-(2-pyridin-3-ylethyl)octanoic acid Traditional Name: 8-[(4-fluorophenyl)sulfonylamino]-5-[2-(3-pyridyl)ethyl]caprylic acid Formula: C21H27FN2O4S MolecularWeight: 422.513483

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C21H27FN2O4S/c22-19-10-12-20(13-11-19)29(27,28)24-15-3-5-17(4-1-7-21(25)26)8-9-18-6-2-14-23-16-18/h2,6,10-14,16-17,24H,1,3-5,7-9,15H2,(H,25,26)