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CHEBI:47749 - ethyl (2R)-4-[(6-chloronaphthalen-2-yl)sulfonyl]-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylate

ChEBI IDCHEBI:47749
ChEBI Nameethyl (2R)-4-[(6-chloronaphthalen-2-yl)sulfonyl]-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylate
Stars
ASCII Nameethyl (2R)-4-[(6-chloronaphthalen-2-yl)sulfonyl]-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylate
Last Modified4 March 2008
DownloadsMolfile
FormulaC28H33ClN4O4S
Net Charge0
Average Mass557.116
Monoisotopic Mass556.19110
SMILES[H]c1nc([H])c([H])c(N2C([H])([H])C([H])([H])C([H])(C([H])([H])N3C([H])([H])C([H])([H])N(S(=O)(=O)c4c([H])c([H])c5c([H])c(Cl)c([H])c([H])c5c4[H])C([H])([H])[C@]3([H])C(=O)OC([H])([H])C([H])([H])[H])C([H])([H])C2([H])[H])c1[H]
InChIInChI=1S/C28H33ClN4O4S/c1-2-37-28(34)27-20-33(38(35,36)26-6-4-22-17-24(29)5-3-23(22)18-26)16-15-32(27)19-21-9-13-31(14-10-21)25-7-11-30-12-8-25/h3-8,11-12,17-18,21,27H,2,9-10,13-16,19-20H2,1H3/t27-/m1/s1
InChIKeyKTOZABIXRDAUJO-HHHXNRCGSA-N
ChEBI Ontology
Outgoing Relation(s)
ethyl (2R)-4-[(6-chloronaphthalen-2-yl)sulfonyl]-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylate (CHEBI:47749) is a N-sulfonylpiperazine (CHEBI:46918)
ethyl (2R)-4-[(6-chloronaphthalen-2-yl)sulfonyl]-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylate (CHEBI:47749) is a naphthalenes (CHEBI:25477)
ethyl (2R)-4-[(6-chloronaphthalen-2-yl)sulfonyl]-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylate (CHEBI:47749) is a organochlorine compound (CHEBI:36683)
ethyl (2R)-4-[(6-chloronaphthalen-2-yl)sulfonyl]-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylate (CHEBI:47749) is a piperazinecarboxylate ester (CHEBI:46922)
ethyl (2R)-4-[(6-chloronaphthalen-2-yl)sulfonyl]-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylate (CHEBI:47749) is a pyridylpiperidine (CHEBI:48634)
Synonyms  Source
ethyl (2R)-4-[(6-chloronaphthalen-2-yl)sulfonyl]-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylatePDBeChem
4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]-2-PIPERAZINECARBOXYLIC ACID ETHYL ESTERPDBeChem
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