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CHEBI:47163 - (11S)-8-chloro-11-[1-(methylsulfonyl)piperidin-4-yl]-6-piperazin-1-yl-11H-benzo[5,6]cyclohepta[1,2-b]pyridine

ChEBI IDCHEBI:47163
ChEBI Name(11S)-8-chloro-11-[1-(methylsulfonyl)piperidin-4-yl]-6-piperazin-1-yl-11H-benzo[5,6]cyclohepta[1,2-b]pyridine
Stars
ASCII Name(11S)-8-chloro-11-[1-(methylsulfonyl)piperidin-4-yl]-6-piperazin-1-yl-11H-benzo[5,6]cyclohepta[1,2-b]pyridine
Last Modified17 October 2009
DownloadsMolfile
FormulaC24H29ClN4O2S
Net Charge0
Average Mass473.042
Monoisotopic Mass472.16997
SMILES[H]C1=C(N2C([H])([H])C([H])([H])N([H])C([H])([H])C2([H])[H])c2c([H])c(Cl)c([H])c([H])c2[C@]([H])(C2([H])C([H])([H])C([H])([H])N(S(=O)(=O)C([H])([H])[H])C([H])([H])C2([H])[H])c2nc([H])c([H])c([H])c21
InChIInChI=1S/C24H29ClN4O2S/c1-32(30,31)29-11-6-17(7-12-29)23-20-5-4-19(25)16-21(20)22(28-13-9-26-10-14-28)15-18-3-2-8-27-24(18)23/h2-5,8,15-17,23,26H,6-7,9-14H2,1H3/t23-/m0/s1
InChIKeyZMGCFGGMTCMSDP-QHCPKHFHSA-N
ChEBI Ontology
Outgoing Relation(s)
(11S)-8-chloro-11-[1-(methylsulfonyl)piperidin-4-yl]-6-piperazin-1-yl-11H-benzo[5,6]cyclohepta[1,2-b]pyridine (CHEBI:47163) is a N-acylpiperidine (CHEBI:48591)
(11S)-8-chloro-11-[1-(methylsulfonyl)piperidin-4-yl]-6-piperazin-1-yl-11H-benzo[5,6]cyclohepta[1,2-b]pyridine (CHEBI:47163) is a N-arylpiperazine (CHEBI:46848)
(11S)-8-chloro-11-[1-(methylsulfonyl)piperidin-4-yl]-6-piperazin-1-yl-11H-benzo[5,6]cyclohepta[1,2-b]pyridine (CHEBI:47163) is a benzocycloheptapyridine (CHEBI:48593)
(11S)-8-chloro-11-[1-(methylsulfonyl)piperidin-4-yl]-6-piperazin-1-yl-11H-benzo[5,6]cyclohepta[1,2-b]pyridine (CHEBI:47163) is a heteroarylpiperidine (CHEBI:48585)
(11S)-8-chloro-11-[1-(methylsulfonyl)piperidin-4-yl]-6-piperazin-1-yl-11H-benzo[5,6]cyclohepta[1,2-b]pyridine (CHEBI:47163) is a organochlorine compound (CHEBI:36683)
(11S)-8-chloro-11-[1-(methylsulfonyl)piperidin-4-yl]-6-piperazin-1-yl-11H-benzo[5,6]cyclohepta[1,2-b]pyridine (CHEBI:47163) is a sulfonamide (CHEBI:35358)
Synonyms  Source
(11S)-8-chloro-11-[1-(methylsulfonyl)piperidin-4-yl]-6-piperazin-1-yl-11H-benzo[5,6]cyclohepta[1,2-b]pyridinePDBeChem
(11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN-4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDINEPDBeChem
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