ethyl 1-[2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]propanoyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]propyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]propanoyl]isonipecotic acid ethyl ester Formula: C20H29N3O5S2 MolecularWeight: 455.59136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H29N3O5S2/c1-3-28-20(25)16-8-12-22(13-9-16)19(24)15(2)29-18-7-6-17(14-21-18)30(26,27)23-10-4-5-11-23/h6-7,14-16H,3-5,8-13H2,1-2H3