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CHEBI:47748 - (2S)-4-[(6-chloronaphthalen-2-yl)sulfonyl]-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylic acid

ChEBI IDCHEBI:47748
ChEBI Name(2S)-4-[(6-chloronaphthalen-2-yl)sulfonyl]-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylic acid
Stars
ASCII Name(2S)-4-[(6-chloronaphthalen-2-yl)sulfonyl]-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylic acid
Last Modified4 March 2008
DownloadsMolfile
FormulaC26H29ClN4O4S
Net Charge0
Average Mass529.062
Monoisotopic Mass528.15980
SMILES[H]OC(=O)[C@@]1([H])N(C([H])([H])C2([H])C([H])([H])C([H])([H])N(c3c([H])c([H])nc([H])c3[H])C([H])([H])C2([H])[H])C([H])([H])C([H])([H])N(S(=O)(=O)c2c([H])c([H])c3c([H])c(Cl)c([H])c([H])c3c2[H])C1([H])[H]
InChIInChI=1S/C26H29ClN4O4S/c27-22-3-1-21-16-24(4-2-20(21)15-22)36(34,35)31-14-13-30(25(18-31)26(32)33)17-19-7-11-29(12-8-19)23-5-9-28-10-6-23/h1-6,9-10,15-16,19,25H,7-8,11-14,17-18H2,(H,32,33)/t25-/m0/s1
InChIKeyQLUPDKQDBWRPGQ-VWLOTQADSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-4-[(6-chloronaphthalen-2-yl)sulfonyl]-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylic acid (CHEBI:47748) is a N-sulfonylpiperazine (CHEBI:46918)
(2S)-4-[(6-chloronaphthalen-2-yl)sulfonyl]-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylic acid (CHEBI:47748) is a naphthalenes (CHEBI:25477)
(2S)-4-[(6-chloronaphthalen-2-yl)sulfonyl]-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylic acid (CHEBI:47748) is a organochlorine compound (CHEBI:36683)
(2S)-4-[(6-chloronaphthalen-2-yl)sulfonyl]-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylic acid (CHEBI:47748) is a piperazinecarboxylic acid (CHEBI:48683)
(2S)-4-[(6-chloronaphthalen-2-yl)sulfonyl]-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylic acid (CHEBI:47748) is a pyridylpiperidine (CHEBI:48634)
Synonyms  Source
(2S)-4-[(6-chloronaphthalen-2-yl)sulfonyl]-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylic acidPDBeChem
4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL] METHYL]-2-PIPERAZINECARBOXYLIC ACIDPDBeChem
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