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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CS1)(C(CCCCC(F)(F)F)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCC(C1=CC=CS1)(C(CCCCC(F)(F)F)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

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