N-(2,5-dimethylphenyl)-2-(4-methyl-6-piperidin-1-ylsulfonyl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,5-dimethylphenyl)-2-(4-methyl-6-piperidin-1-ylsulfonyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,5-dimethylphenyl)-2-[[4-methyl-6-(1-piperidylsulfonyl)-2-quinolyl]sulfanyl]acetamide CAS Name: N-(2,5-dimethylphenyl)-2-[[4-methyl-6-(1-piperidinylsulfonyl)-2-quinolinyl]thio]acetamide IUPAC Name: N-(2,5-dimethylphenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(2,5-dimethylphenyl)-2-[(4-methyl-6-piperidinosulfonyl-2-quinolyl)thio]acetamide Formula: C25H29N3O3S2 MolecularWeight: 483.64606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CSC2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)C(=C2)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CSC2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)C(=C2)C

InChI

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