N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-methylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-methylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(4-methyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-[(4-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(4-methyl-2-quinolyl)thio]acetamide Formula: C25H29N3O3S2 MolecularWeight: 483.64606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=C2)C)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=C2)C)S(=O)(=O)N4CCCCCC4

InChI

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