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CHEBI:47349 - N-({(2S,4R)-4-[(4-chlorobenzyl)oxy]pyrrolidin-2-yl}methyl)isoquinoline-5-sulfonamide

ChEBI IDCHEBI:47349
ChEBI NameN-({(2S,4R)-4-[(4-chlorobenzyl)oxy]pyrrolidin-2-yl}methyl)isoquinoline-5-sulfonamide
Stars
ASCII NameN-({(2S,4R)-4-[(4-chlorobenzyl)oxy]pyrrolidin-2-yl}methyl)isoquinoline-5-sulfonamide
Last Modified24 October 2014
DownloadsMolfile
FormulaC21H22ClN3O3S
Net Charge0
Average Mass431.945
Monoisotopic Mass431.10704
SMILES[H]c1nc([H])c2c([H])c([H])c([H])c(S(=O)(=O)N([H])C([H])([H])[C@@]3([H])N([H])C([H])([H])[C@]([H])(OC([H])([H])c4c([H])c([H])c(Cl)c([H])c4[H])C3([H])[H])c2c1[H]
InChIInChI=1S/C21H22ClN3O3S/c22-17-6-4-15(5-7-17)14-28-19-10-18(24-13-19)12-25-29(26,27)21-3-1-2-16-11-23-9-8-20(16)21/h1-9,11,18-19,24-25H,10,12-14H2/t18-,19+/m0/s1
InChIKeyRLNNFNGBXLTQOB-RBUKOAKNSA-N
ChEBI Ontology
Outgoing Relation(s)
N-({(2S,4R)-4-[(4-chlorobenzyl)oxy]pyrrolidin-2-yl}methyl)isoquinoline-5-sulfonamide (CHEBI:47349) is a isoquinolines (CHEBI:24922)
N-({(2S,4R)-4-[(4-chlorobenzyl)oxy]pyrrolidin-2-yl}methyl)isoquinoline-5-sulfonamide (CHEBI:47349) is a monochlorobenzenes (CHEBI:83403)
N-({(2S,4R)-4-[(4-chlorobenzyl)oxy]pyrrolidin-2-yl}methyl)isoquinoline-5-sulfonamide (CHEBI:47349) is a pyrrolidines (CHEBI:38260)
Synonym  Source
N-({(2S,4R)-4-[(4-chlorobenzyl)oxy]pyrrolidin-2-yl}methyl)isoquinoline-5-sulfonamidePDBeChem
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