N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-2-[(1-methyl-2-imidazolyl)thio]acetamide IUPAC Name: N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide Traditional Name: N-(4-methoxy-3-piperidinosulfonyl-phenyl)-2-[(1-methylimidazol-2-yl)thio]acetamide Formula: C18H24N4O4S2 MolecularWeight: 424.53756

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H24N4O4S2/c1-21-11-8-19-18(21)27-13-17(23)20-14-6-7-15(26-2)16(12-14)28(24,25)22-9-4-3-5-10-22/h6-8,11-12H,3-5,9-10,13H2,1-2H3,(H,20,23)