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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CCCCC(F)(F)F)NS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(=O)OC2=CC=CC=C2

Isomeric SMILES

CCC(C(CCCCC(F)(F)F)NS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(=O)OC2=CC=CC=C2

InChI

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