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

Systemtic Name: thiophen-2-yl 2-ethyl-8,8,8-tris(fluoranyl)-3-[(4-nitrophenyl)sulfonylamino]octanoate Openeye Name: 2-thienyl 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 thiophen-2-yl ester IUPAC Name: thiophen-2-yl 2-ethyl-8,8,8-trifluoro-3-[(4-nitrophenyl)sulfonylamino]octanoate Traditional Name: 2-ethyl-8,8,8-trifluoro-3-(nosylamino)caprylic acid 2-thienyl ester Formula: C20H23F3N2O6S2 MolecularWeight: 508.53163

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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=CS2

Isomeric SMILES

CCC(C(CCCCC(F)(F)F)NS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(=O)OC2=CC=CS2

InChI

InChI=1S/C20H23F3N2O6S2/c1-2-16(19(26)31-18-7-5-13-32-18)17(6-3-4-12-20(21,22)23)24-33(29,30)15-10-8-14(9-11-15)25(27)28/h5,7-11,13,16-17,24H,2-4,6,12H2,1H3