ethyl 1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]sulfonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]sulfonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-(2-pyridylmethyl)piperazin-1-yl]sulfonylpiperidine-3-carboxylate CAS Name: 1-[[4-(2-pyridinylmethyl)-1-piperazinyl]sulfonyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]sulfonylpiperidine-3-carboxylate Traditional Name: 1-[4-(2-pyridylmethyl)piperazino]sulfonylnipecotic acid ethyl ester Formula: C18H28N4O4S MolecularWeight: 396.50432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=N3

InChI

InChI=1S/C18H28N4O4S/c1-2-26-18(23)16-6-5-9-22(14-16)27(24,25)21-12-10-20(11-13-21)15-17-7-3-4-8-19-17/h3-4,7-8,16H,2,5-6,9-15H2,1H3