N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methyl-2-oxidanylidene-quinolin-1-yl)butanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methyl-2-oxidanylidene-quinolin-1-yl)butanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methyl-2-oxo-1-quinolyl)butanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(4-methyl-2-oxo-1-quinolinyl)butanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methyl-2-oxoquinolin-1-yl)butanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-keto-4-methyl-1-quinolyl)butyramide Formula: C26H31N3O4S MolecularWeight: 481.60704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)N3C4=CC=CC=C4C(=CC3=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)N3C4=CC=CC=C4C(=CC3=O)C

InChI

InChI=1S/C26H31N3O4S/c1-3-23(29-24-11-7-6-10-22(24)19(2)18-25(29)30)26(31)27-20-12-14-21(15-13-20)34(32,33)28-16-8-4-5-9-17-28/h6-7,10-15,18,23H,3-5,8-9,16-17H2,1-2H3,(H,27,31)