methyl 4-ethylsulfonyl-1-pyridin-3-ylcarbonyl-piperazine-2-carboxylate

Systemtic Name: methyl 4-ethylsulfonyl-1-pyridin-3-ylcarbonyl-piperazine-2-carboxylate Openeye Name: methyl 4-ethylsulfonyl-1-(pyridine-3-carbonyl)piperazine-2-carboxylate CAS Name: 4-ethylsulfonyl-1-[oxo(3-pyridinyl)methyl]-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-ethylsulfonyl-1-(pyridine-3-carbonyl)piperazine-2-carboxylate Traditional Name: 4-esyl-1-nicotinoyl-piperazine-2-carboxylic acid methyl ester Formula: C14H19N3O5S MolecularWeight: 341.38276

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(C(C1)C(=O)OC)C(=O)C2=CN=CC=C2

Isomeric SMILES

CCS(=O)(=O)N1CCN(C(C1)C(=O)OC)C(=O)C2=CN=CC=C2

InChI

InChI=1S/C14H19N3O5S/c1-3-23(20,21)16-7-8-17(12(10-16)14(19)22-2)13(18)11-5-4-6-15-9-11/h4-6,9,12H,3,7-8,10H2,1-2H3