N-(2-ethylphenyl)-2-(4-methyl-6-piperidin-1-ylsulfonyl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-(4-methyl-6-piperidin-1-ylsulfonyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-ethylphenyl)-2-[[4-methyl-6-(1-piperidylsulfonyl)-2-quinolyl]sulfanyl]acetamide CAS Name: N-(2-ethylphenyl)-2-[[4-methyl-6-(1-piperidinylsulfonyl)-2-quinolinyl]thio]acetamide IUPAC Name: N-(2-ethylphenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(2-ethylphenyl)-2-[(4-methyl-6-piperidinosulfonyl-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)N4CCCCC4)C(=C2)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CSC2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)C(=C2)C

InChI

InChI=1S/C25H29N3O3S2/c1-3-19-9-5-6-10-22(19)26-24(29)17-32-25-15-18(2)21-16-20(11-12-23(21)27-25)33(30,31)28-13-7-4-8-14-28/h5-6,9-12,15-16H,3-4,7-8,13-14,17H2,1-2H3,(H,26,29)