2-[(3-methylphenyl)methylsulfanyl]-N-[4-(4-nitrophenyl)sulfonylphenyl]ethanamide

Systemtic Name: 2-[(3-methylphenyl)methylsulfanyl]-N-[4-(4-nitrophenyl)sulfonylphenyl]ethanamide Openeye Name: 2-(m-tolylmethylsulfanyl)-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide CAS Name: 2-[(3-methylphenyl)methylthio]-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide IUPAC Name: 2-[(3-methylphenyl)methylsulfanyl]-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide Traditional Name: 2-[(3-methylbenzyl)thio]-N-(4-nosylphenyl)acetamide Formula: C22H20N2O5S2 MolecularWeight: 456.5346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O5S2/c1-16-3-2-4-17(13-16)14-30-15-22(25)23-18-5-9-20(10-6-18)31(28,29)21-11-7-19(8-12-21)24(26)27/h2-13H,14-15H2,1H3,(H,23,25)