N-(1,3-benzodioxol-5-yl)-2-(4-methyl-6-piperidin-1-ylsulfonyl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(4-methyl-6-piperidin-1-ylsulfonyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[[4-methyl-6-(1-piperidylsulfonyl)-2-quinolyl]sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[4-methyl-6-(1-piperidinylsulfonyl)-2-quinolinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(4-methyl-6-piperidinosulfonyl-2-quinolyl)thio]acetamide Formula: C24H25N3O5S2 MolecularWeight: 499.6024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCCCC3)SCC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCCCC3)SCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H25N3O5S2/c1-16-11-24(33-14-23(28)25-17-5-8-21-22(12-17)32-15-31-21)26-20-7-6-18(13-19(16)20)34(29,30)27-9-3-2-4-10-27/h5-8,11-13H,2-4,9-10,14-15H2,1H3,(H,25,28)