N-(4-morpholin-4-ylsulfonylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(4-morpholin-4-ylsulfonylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-(4-morpholinosulfonylphenyl)-2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-[4-(4-morpholinylsulfonyl)phenyl]-2-[(4,6,8-trimethyl-2-quinolinyl)thio]propanamide IUPAC Name: N-(4-morpholin-4-ylsulfonylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-(4-morpholinosulfonylphenyl)-2-[(4,6,8-trimethyl-2-quinolyl)thio]propionamide Formula: C25H29N3O4S2 MolecularWeight: 499.64546

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)N4CCOCC4)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SC(C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C)C

InChI

InChI=1S/C25H29N3O4S2/c1-16-13-18(3)24-22(14-16)17(2)15-23(27-24)33-19(4)25(29)26-20-5-7-21(8-6-20)34(30,31)28-9-11-32-12-10-28/h5-8,13-15,19H,9-12H2,1-4H3,(H,26,29)