ethyl 4-(1-pyridin-3-ylsulfonylpiperidin-3-yl)carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-(1-pyridin-3-ylsulfonylpiperidin-3-yl)carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-(3-pyridylsulfonyl)piperidine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[1-(3-pyridinylsulfonyl)-3-piperidinyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1-pyridin-3-ylsulfonylpiperidine-3-carbonyl)piperazine-1-carboxylate Traditional Name: 4-[1-(3-pyridylsulfonyl)nipecotoyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H26N4O5S MolecularWeight: 410.48784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C18H26N4O5S/c1-2-27-18(24)21-11-9-20(10-12-21)17(23)15-5-4-8-22(14-15)28(25,26)16-6-3-7-19-13-16/h3,6-7,13,15H,2,4-5,8-12,14H2,1H3