methyl 1-(5-piperidin-1-ylsulfonylpyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: methyl 1-(5-piperidin-1-ylsulfonylpyridin-2-yl)piperidine-4-carboxylate Openeye Name: methyl 1-[5-(1-piperidylsulfonyl)-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[5-(1-piperidinylsulfonyl)-2-pyridinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(5-piperidin-1-ylsulfonylpyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-piperidinosulfonyl-2-pyridyl)isonipecotic acid methyl ester Formula: C17H25N3O4S MolecularWeight: 367.4631

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C17H25N3O4S/c1-24-17(21)14-7-11-19(12-8-14)16-6-5-15(13-18-16)25(22,23)20-9-3-2-4-10-20/h5-6,13-14H,2-4,7-12H2,1H3