2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]ethanamide

Systemtic Name: 2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]ethanamide Openeye Name: 2-(3,5-dimethyl-N-methylsulfonyl-anilino)-N-[2-(m-tolylmethylsulfanyl)ethyl]acetamide CAS Name: 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-[(3-methylphenyl)methylthio]ethyl]acetamide IUPAC Name: 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]acetamide Traditional Name: 2-(N-mesyl-3,5-dimethyl-anilino)-N-[2-[(3-methylbenzyl)thio]ethyl]acetamide Formula: C21H28N2O3S2 MolecularWeight: 420.58862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3S2/c1-16-6-5-7-19(11-16)15-27-9-8-22-21(24)14-23(28(4,25)26)20-12-17(2)10-18(3)13-20/h5-7,10-13H,8-9,14-15H2,1-4H3,(H,22,24)