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

Systemtic Name: 2-ethyl-8-fluoranyl-3-[(4-nitrophenyl)sulfonylamino]-2-thiophen-2-yl-octanoic acid Openeye Name: 2-ethyl-8-fluoro-3-[(4-nitrophenyl)sulfonylamino]-2-(2-thienyl)octanoic acid CAS Name: 2-ethyl-8-fluoro-3-[(4-nitrophenyl)sulfonylamino]-2-thiophen-2-yloctanoic acid IUPAC Name: 2-ethyl-8-fluoro-3-[(4-nitrophenyl)sulfonylamino]-2-thiophen-2-yloctanoic acid Traditional Name: 2-ethyl-8-fluoro-3-(nosylamino)-2-(2-thienyl)caprylic acid Formula: C20H25FN2O6S2 MolecularWeight: 472.550703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25FN2O6S2/c1-2-20(19(24)25,18-8-6-14-30-18)17(7-4-3-5-13-21)22-31(28,29)16-11-9-15(10-12-16)23(26)27/h6,8-12,14,17,22H,2-5,7,13H2,1H3,(H,24,25)