N-[4-(phenethylsulfamoyl)phenyl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-[4-(phenethylsulfamoyl)phenyl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-[4-(phenethylsulfamoyl)phenyl]-2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-[4-(phenethylsulfamoyl)phenyl]-2-[(4,6,8-trimethyl-2-quinolinyl)thio]propanamide IUPAC Name: N-[4-(phenethylsulfamoyl)phenyl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-[4-(phenethylsulfamoyl)phenyl]-2-[(4,6,8-trimethyl-2-quinolyl)thio]propionamide Formula: C29H31N3O3S2 MolecularWeight: 533.70474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SC(C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCCC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SC(C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCCC4=CC=CC=C4)C)C

InChI

InChI=1S/C29H31N3O3S2/c1-19-16-21(3)28-26(17-19)20(2)18-27(32-28)36-22(4)29(33)31-24-10-12-25(13-11-24)37(34,35)30-15-14-23-8-6-5-7-9-23/h5-13,16-18,22,30H,14-15H2,1-4H3,(H,31,33)