2-[6-(azepan-1-ylsulfonyl)-4-methyl-quinolin-2-yl]sulfanyl-N-(2-methylphenyl)ethanamide

Systemtic Name: 2-[6-(azepan-1-ylsulfonyl)-4-methyl-quinolin-2-yl]sulfanyl-N-(2-methylphenyl)ethanamide Openeye Name: 2-[[6-(azepan-1-ylsulfonyl)-4-methyl-2-quinolyl]sulfanyl]-N-(o-tolyl)acetamide CAS Name: 2-[[6-(1-azepanylsulfonyl)-4-methyl-2-quinolinyl]thio]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[6-(azepan-1-ylsulfonyl)-4-methylquinolin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide Traditional Name: 2-[[6-(azepan-1-ylsulfonyl)-4-methyl-2-quinolyl]thio]-N-(o-tolyl)acetamide Formula: C25H29N3O3S2 MolecularWeight: 483.64606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CSC2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)C(=C2)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CSC2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)C(=C2)C

InChI

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