1-[2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: 1-[2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: 1-[2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]ethyl]-4-piperidinecarboxylate IUPAC Name: 1-[2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(5-piperidinosulfonyl-2-pyridyl)thio]acetyl]isonipecotate Formula: C18H24N3O5S2- MolecularWeight: 426.53026

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N3CCC(CC3)C(=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N3CCC(CC3)C(=O)[O-]

InChI

InChI=1S/C18H25N3O5S2/c22-17(20-10-6-14(7-11-20)18(23)24)13-27-16-5-4-15(12-19-16)28(25,26)21-8-2-1-3-9-21/h4-5,12,14H,1-3,6-11,13H2,(H,23,24)/p-1