N-(2-ethyl-6-methyl-phenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonyl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[(4-methyl-6-pyrrolidin-1-ylsulfonyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[[4-methyl-6-(1-pyrrolidinylsulfonyl)-2-quinolinyl]thio]acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[(4-methyl-6-pyrrolidinosulfonyl-2-quinolyl)thio]acetamide Formula: C25H29N3O3S2 MolecularWeight: 483.64606

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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)N4CCCC4)C(=C2)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)C(=C2)C)C

InChI

InChI=1S/C25H29N3O3S2/c1-4-19-9-7-8-17(2)25(19)27-23(29)16-32-24-14-18(3)21-15-20(10-11-22(21)26-24)33(30,31)28-12-5-6-13-28/h7-11,14-15H,4-6,12-13,16H2,1-3H3,(H,27,29)