2-[methylsulfonyl-(2,4,6-trimethylphenyl)amino]-N-(3-phenylsulfanylpropyl)ethanamide

Systemtic Name: 2-[methylsulfonyl-(2,4,6-trimethylphenyl)amino]-N-(3-phenylsulfanylpropyl)ethanamide Openeye Name: N-(3-phenylsulfanylpropyl)-2-(2,4,6-trimethyl-N-methylsulfonyl-anilino)acetamide CAS Name: N-[3-(phenylthio)propyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide IUPAC Name: N-(3-phenylsulfanylpropyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide Traditional Name: 2-(N-mesyl-2,4,6-trimethyl-anilino)-N-[3-(phenylthio)propyl]acetamide Formula: C21H28N2O3S2 MolecularWeight: 420.58862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)N(CC(=O)NCCCSC2=CC=CC=C2)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)N(CC(=O)NCCCSC2=CC=CC=C2)S(=O)(=O)C)C

InChI

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