EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:47476 - Isoquinoline-5-sulfonic acid (2-(2-(4-chlorobenzyloxy)ethylamino)ethyl)amide

Default Structure
ChEBI IDCHEBI:47476
ChEBI NameIsoquinoline-5-sulfonic acid (2-(2-(4-chlorobenzyloxy)ethylamino)ethyl)amide
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC20H22ClN3O3S
Net Charge0
Average Mass419.934
Monoisotopic Mass419.10704
SMILES[H]c1nc([H])c2c([H])c([H])c([H])c(S(=O)(=O)N([H])C([H])([H])C([H])([H])N([H])C([H])([H])C([H])([H])OC([H])([H])c3c([H])c([H])c(Cl)c([H])c3[H])c2c1[H]
InChIInChI=1S/C20H22ClN3O3S/c21-18-6-4-16(5-7-18)15-27-13-12-22-10-11-24-28(25,26)20-3-1-2-17-14-23-9-8-19(17)20/h1-9,14,22,24H,10-13,15H2
InChIKeyAUHWQSZMVMMRLM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Isoquinoline-5-sulfonic acid (2-(2-(4-chlorobenzyloxy)ethylamino)ethyl)amide (CHEBI:47476) is a unclassifieds (CHEBI:27189)
Synonyms  Source
Isoquinoline-5-sulfonic acid (2-(2-(4-chlorobenzyloxy)ethylamino)ethyl)amidePDBeChem
N-[2-({2-[(4-chlorobenzyl)oxy]ethyl}amino)ethyl]isoquinoline-5-sulfonamidePDBeChem
Manual XrefsDatabases
I5SPDBeChem