N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[(4,6,8-trimethyl-2-quinolinyl)thio]propanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4,6,8-trimethyl-2-quinolyl)thio]propionamide Formula: C27H33N3O3S2 MolecularWeight: 511.69922

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)N4CCCCCC4)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SC(C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C)C

InChI

InChI=1S/C27H33N3O3S2/c1-18-15-20(3)26-24(16-18)19(2)17-25(29-26)34-21(4)27(31)28-22-9-11-23(12-10-22)35(32,33)30-13-7-5-6-8-14-30/h9-12,15-17,21H,5-8,13-14H2,1-4H3,(H,28,31)