N-[2-(4-methylphenyl)sulfanylethyl]-2-[methylsulfonyl-(4-propoxyphenyl)amino]ethanamide

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-2-[methylsulfonyl-(4-propoxyphenyl)amino]ethanamide Openeye Name: 2-(N-methylsulfonyl-4-propoxy-anilino)-N-[2-(p-tolylsulfanyl)ethyl]acetamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-2-(N-methylsulfonyl-4-propoxyanilino)acetamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-2-(N-methylsulfonyl-4-propoxyanilino)acetamide Traditional Name: 2-(N-mesyl-4-propoxy-anilino)-N-[2-(p-tolylthio)ethyl]acetamide Formula: C21H28N2O4S2 MolecularWeight: 436.58802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N(CC(=O)NCCSC2=CC=C(C=C2)C)S(=O)(=O)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)N(CC(=O)NCCSC2=CC=C(C=C2)C)S(=O)(=O)C

InChI

InChI=1S/C21H28N2O4S2/c1-4-14-27-19-9-7-18(8-10-19)23(29(3,25)26)16-21(24)22-13-15-28-20-11-5-17(2)6-12-20/h5-12H,4,13-16H2,1-3H3,(H,22,24)