N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-chloro-5-methylsulfonyl-phenyl)-2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(2-chloro-5-methylsulfonylphenyl)-2-[(4,6,8-trimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(2-chloro-5-methylsulfonylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(2-chloro-5-mesyl-phenyl)-2-[(4,6,8-trimethyl-2-quinolyl)thio]acetamide Formula: C21H21ClN2O3S2 MolecularWeight: 448.98604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl)C)C

InChI

InChI=1S/C21H21ClN2O3S2/c1-12-7-14(3)21-16(8-12)13(2)9-20(24-21)28-11-19(25)23-18-10-15(29(4,26)27)5-6-17(18)22/h5-10H,11H2,1-4H3,(H,23,25)