2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]-N-[3-(4-methylphenyl)sulfanylpropyl]ethanamide

Systemtic Name: 2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]-N-[3-(4-methylphenyl)sulfanylpropyl]ethanamide Openeye Name: 2-(3,5-dimethyl-N-methylsulfonyl-anilino)-N-[3-(p-tolylsulfanyl)propyl]acetamide CAS Name: 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[3-[(4-methylphenyl)thio]propyl]acetamide IUPAC Name: 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)sulfanylpropyl]acetamide Traditional Name: 2-(N-mesyl-3,5-dimethyl-anilino)-N-[3-(p-tolylthio)propyl]acetamide Formula: C21H28N2O3S2 MolecularWeight: 420.58862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCNC(=O)CN(C2=CC(=CC(=C2)C)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCCNC(=O)CN(C2=CC(=CC(=C2)C)C)S(=O)(=O)C

InChI

InChI=1S/C21H28N2O3S2/c1-16-6-8-20(9-7-16)27-11-5-10-22-21(24)15-23(28(4,25)26)19-13-17(2)12-18(3)14-19/h6-9,12-14H,5,10-11,15H2,1-4H3,(H,22,24)