N'-(4-fluoranyl-3-nitro-phenyl)-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]ethanediamide

Systemtic Name: N'-(4-fluoranyl-3-nitro-phenyl)-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]ethanediamide Openeye Name: N'-(4-fluoro-3-nitro-phenyl)-N-[2-(p-tolylsulfonyl)-2-(2-thienyl)ethyl]oxamide CAS Name: N'-(4-fluoro-3-nitrophenyl)-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide IUPAC Name: N'-(4-fluoro-3-nitrophenyl)-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide Traditional Name: N'-(4-fluoro-3-nitro-phenyl)-N-[2-(2-thienyl)-2-tosyl-ethyl]oxamide Formula: C21H18FN3O6S2 MolecularWeight: 491.512523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C21H18FN3O6S2/c1-13-4-7-15(8-5-13)33(30,31)19(18-3-2-10-32-18)12-23-20(26)21(27)24-14-6-9-16(22)17(11-14)25(28)29/h2-11,19H,12H2,1H3,(H,23,26)(H,24,27)