(2-fluorophenyl) 2-ethyl-3-[(4-nitrophenyl)sulfonylamino]octanoate

Systemtic Name: (2-fluorophenyl) 2-ethyl-3-[(4-nitrophenyl)sulfonylamino]octanoate Openeye Name: (2-fluorophenyl) 2-ethyl-3-[(4-nitrophenyl)sulfonylamino]octanoate CAS Name: 2-ethyl-3-[(4-nitrophenyl)sulfonylamino]octanoic acid (2-fluorophenyl) ester IUPAC Name: (2-fluorophenyl) 2-ethyl-3-[(4-nitrophenyl)sulfonylamino]octanoate Traditional Name: 2-ethyl-3-(nosylamino)caprylic acid (2-fluorophenyl) ester Formula: C22H27FN2O6S MolecularWeight: 466.522983

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(CC)C(=O)OC1=CC=CC=C1F)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCC(C(CC)C(=O)OC1=CC=CC=C1F)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H27FN2O6S/c1-3-5-6-10-20(18(4-2)22(26)31-21-11-8-7-9-19(21)23)24-32(29,30)17-14-12-16(13-15-17)25(27)28/h7-9,11-15,18,20,24H,3-6,10H2,1-2H3