N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylquinolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-methyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[(4-methyl-2-quinolinyl)thio]propanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-methyl-2-quinolyl)thio]propionamide Formula: C25H29N3O3S2 MolecularWeight: 483.64606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SC(C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SC(C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H29N3O3S2/c1-18-17-24(27-23-10-6-5-9-22(18)23)32-19(2)25(29)26-20-11-13-21(14-12-20)33(30,31)28-15-7-3-4-8-16-28/h5-6,9-14,17,19H,3-4,7-8,15-16H2,1-2H3,(H,26,29)