N-(2,5-dimethylphenyl)-2-[4-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-quinolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,5-dimethylphenyl)-2-[4-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-quinolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2,5-dimethylphenyl)-2-[[4-methyl-6-[(4-methyl-1-piperidyl)sulfonyl]-2-quinolyl]sulfanyl]acetamide CAS Name: N-(2,5-dimethylphenyl)-2-[[4-methyl-6-[(4-methyl-1-piperidinyl)sulfonyl]-2-quinolinyl]thio]acetamide IUPAC Name: N-(2,5-dimethylphenyl)-2-[4-methyl-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-yl]sulfanylacetamide Traditional Name: N-(2,5-dimethylphenyl)-2-[[4-methyl-6-(4-methylpiperidino)sulfonyl-2-quinolyl]thio]acetamide Formula: C26H31N3O3S2 MolecularWeight: 497.67264

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C)SCC(=O)NC4=C(C=CC(=C4)C)C

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C)SCC(=O)NC4=C(C=CC(=C4)C)C

InChI

InChI=1S/C26H31N3O3S2/c1-17-9-11-29(12-10-17)34(31,32)21-7-8-23-22(15-21)20(4)14-26(28-23)33-16-25(30)27-24-13-18(2)5-6-19(24)3/h5-8,13-15,17H,9-12,16H2,1-4H3,(H,27,30)