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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(CC)(C1=CC=CC=C1F)C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCC(C(CC)(C1=CC=CC=C1F)C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

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