3-(azepan-1-ylsulfonyl)-4-methoxy-N-(8-methylquinolin-5-yl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(8-methylquinolin-5-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(8-methyl-5-quinolyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-methoxy-N-(8-methyl-5-quinolinyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(8-methylquinolin-5-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(8-methyl-5-quinolyl)benzamide Formula: C24H27N3O4S MolecularWeight: 453.55388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)NC(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCCCC4)C=CC=N2

Isomeric SMILES

CC1=C2C(=C(C=C1)NC(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCCCC4)C=CC=N2

InChI

InChI=1S/C24H27N3O4S/c1-17-9-11-20(19-8-7-13-25-23(17)19)26-24(28)18-10-12-21(31-2)22(16-18)32(29,30)27-14-5-3-4-6-15-27/h7-13,16H,3-6,14-15H2,1-2H3,(H,26,28)