N-[3-[(2-methylphenyl)methylsulfanyl]propyl]-2-[(4-methylphenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[3-[(2-methylphenyl)methylsulfanyl]propyl]-2-[(4-methylphenyl)-methylsulfonyl-amino]ethanamide Openeye Name: 2-(4-methyl-N-methylsulfonyl-anilino)-N-[3-(o-tolylmethylsulfanyl)propyl]acetamide CAS Name: 2-(4-methyl-N-methylsulfonylanilino)-N-[3-[(2-methylphenyl)methylthio]propyl]acetamide IUPAC Name: 2-(4-methyl-N-methylsulfonylanilino)-N-[3-[(2-methylphenyl)methylsulfanyl]propyl]acetamide Traditional Name: 2-(N-mesyl-4-methyl-anilino)-N-[3-[(2-methylbenzyl)thio]propyl]acetamide Formula: C21H28N2O3S2 MolecularWeight: 420.58862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC(=O)NCCCSCC2=CC=CC=C2C)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N(CC(=O)NCCCSCC2=CC=CC=C2C)S(=O)(=O)C

InChI

InChI=1S/C21H28N2O3S2/c1-17-9-11-20(12-10-17)23(28(3,25)26)15-21(24)22-13-6-14-27-16-19-8-5-4-7-18(19)2/h4-5,7-12H,6,13-16H2,1-3H3,(H,22,24)