2-ethyl-8,8,8-tris(fluoranyl)-3-[(4-nitrophenyl)sulfonylamino]-2-phenyl-octanoic acid

Systemtic Name: 2-ethyl-8,8,8-tris(fluoranyl)-3-[(4-nitrophenyl)sulfonylamino]-2-phenyl-octanoic acid Openeye Name: 2-ethyl-8,8,8-trifluoro-3-[(4-nitrophenyl)sulfonylamino]-2-phenyl-octanoic acid CAS Name: 2-ethyl-8,8,8-trifluoro-3-[(4-nitrophenyl)sulfonylamino]-2-phenyloctanoic acid IUPAC Name: 2-ethyl-8,8,8-trifluoro-3-[(4-nitrophenyl)sulfonylamino]-2-phenyloctanoic acid Traditional Name: 2-ethyl-8,8,8-trifluoro-3-(nosylamino)-2-phenyl-caprylic acid Formula: C22H25F3N2O6S MolecularWeight: 502.50391

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)(C(CCCCC(F)(F)F)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCC(C1=CC=CC=C1)(C(CCCCC(F)(F)F)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C22H25F3N2O6S/c1-2-21(20(28)29,16-8-4-3-5-9-16)19(10-6-7-15-22(23,24)25)26-34(32,33)18-13-11-17(12-14-18)27(30)31/h3-5,8-9,11-14,19,26H,2,6-7,10,15H2,1H3,(H,28,29)