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

Systemtic Name: N'-(4-methyl-2-nitro-phenyl)-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]ethanediamide Openeye Name: N'-(4-methyl-2-nitro-phenyl)-N-[2-(p-tolylsulfonyl)-2-(2-thienyl)ethyl]oxamide CAS Name: N'-(4-methyl-2-nitrophenyl)-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide IUPAC Name: N'-(4-methyl-2-nitrophenyl)-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide Traditional Name: N'-(4-methyl-2-nitro-phenyl)-N-[2-(2-thienyl)-2-tosyl-ethyl]oxamide Formula: C22H21N3O6S2 MolecularWeight: 487.54864

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=C(C=C(C=C2)C)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O6S2/c1-14-5-8-16(9-6-14)33(30,31)20(19-4-3-11-32-19)13-23-21(26)22(27)24-17-10-7-15(2)12-18(17)25(28)29/h3-12,20H,13H2,1-2H3,(H,23,26)(H,24,27)