N-(4-methylphenyl)sulfonyl-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-methylphenyl)sulfonyl-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(p-tolylsulfonyl)-2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(4-methylphenyl)sulfonyl-2-[(4,6,8-trimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(4-methylphenyl)sulfonyl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-tosyl-2-[(4,6,8-trimethyl-2-quinolyl)thio]acetamide Formula: C21H22N2O3S2 MolecularWeight: 414.54098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)CSC2=NC3=C(C=C(C=C3C(=C2)C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)CSC2=NC3=C(C=C(C=C3C(=C2)C)C)C

InChI

InChI=1S/C21H22N2O3S2/c1-13-5-7-17(8-6-13)28(25,26)23-19(24)12-27-20-11-15(3)18-10-14(2)9-16(4)21(18)22-20/h5-11H,12H2,1-4H3,(H,23,24)