EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:47745 - ethyl (2R)-4-[(6-chloronaphthalen-2-yl)sulfonyl]-6-oxo-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylate

ChEBI IDCHEBI:47745
ChEBI Nameethyl (2R)-4-[(6-chloronaphthalen-2-yl)sulfonyl]-6-oxo-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylate
Stars
ASCII Nameethyl (2R)-4-[(6-chloronaphthalen-2-yl)sulfonyl]-6-oxo-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylate
Last Modified28 February 2008
DownloadsMolfile
FormulaC28H31ClN4O5S
Net Charge0
Average Mass571.099
Monoisotopic Mass570.17037
SMILES[H]c1nc([H])c([H])c(N2C([H])([H])C([H])([H])C([H])(C([H])([H])N3C(=O)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/C28H31ClN4O5S/c1-2-38-28(35)26-18-32(39(36,37)25-6-4-21-15-23(29)5-3-22(21)16-25)19-27(34)33(26)17-20-9-13-31(14-10-20)24-7-11-30-12-8-24/h3-8,11-12,15-16,20,26H,2,9-10,13-14,17-19H2,1H3/t26-/m1/s1
InChIKeyBVVKZWAFUVRXPJ-AREMUKBSSA-N
ChEBI Ontology
Outgoing Relation(s)
ethyl (2R)-4-[(6-chloronaphthalen-2-yl)sulfonyl]-6-oxo-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylate (CHEBI:47745) is a N-sulfonylpiperazine (CHEBI:46918)
ethyl (2R)-4-[(6-chloronaphthalen-2-yl)sulfonyl]-6-oxo-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylate (CHEBI:47745) is a aminopyridine (CHEBI:38207)
ethyl (2R)-4-[(6-chloronaphthalen-2-yl)sulfonyl]-6-oxo-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylate (CHEBI:47745) is a naphthalenes (CHEBI:25477)
ethyl (2R)-4-[(6-chloronaphthalen-2-yl)sulfonyl]-6-oxo-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylate (CHEBI:47745) is a organochlorine compound (CHEBI:36683)
ethyl (2R)-4-[(6-chloronaphthalen-2-yl)sulfonyl]-6-oxo-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylate (CHEBI:47745) is a piperazinecarboxylate ester (CHEBI:46922)
ethyl (2R)-4-[(6-chloronaphthalen-2-yl)sulfonyl]-6-oxo-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylate (CHEBI:47745) is a pyridylpiperidine (CHEBI:48634)
Synonyms  Source
(2R)-4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-6-OXO-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]-2-PIPERAZINECARBOXYLIC ACID ETHYL ESTERPDBeChem
ethyl (2R)-4-[(6-chloronaphthalen-2-yl)sulfonyl]-6-oxo-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylatePDBeChem
Manual XrefsDatabases
XMDPDBeChem