N-(2-ethyl-6-methyl-phenyl)-2-(4-methyl-6-morpholin-4-ylsulfonyl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-(4-methyl-6-morpholin-4-ylsulfonyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[(4-methyl-6-morpholinosulfonyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[[4-methyl-6-(4-morpholinylsulfonyl)-2-quinolinyl]thio]acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[(4-methyl-6-morpholinosulfonyl-2-quinolyl)thio]acetamide Formula: C25H29N3O4S2 MolecularWeight: 499.64546

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)C(=C2)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)C(=C2)C)C

InChI

InChI=1S/C25H29N3O4S2/c1-4-19-7-5-6-17(2)25(19)27-23(29)16-33-24-14-18(3)21-15-20(8-9-22(21)26-24)34(30,31)28-10-12-32-13-11-28/h5-9,14-15H,4,10-13,16H2,1-3H3,(H,27,29)