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CHEBI:47182 - {[5-(3-{[1-(benzylsulfonyl)piperidin-4-yl]amino}phenyl)-4-bromo-2-(2H-tetrazol-5-yl)thiophen-3-yl]oxy}acetic acid

ChEBI IDCHEBI:47182
ChEBI Name{[5-(3-{[1-(benzylsulfonyl)piperidin-4-yl]amino}phenyl)-4-bromo-2-(2H-tetrazol-5-yl)thiophen-3-yl]oxy}acetic acid
Stars
ASCII Name{[5-(3-{[1-(benzylsulfonyl)piperidin-4-yl]amino}phenyl)-4-bromo-2-(2H-tetrazol-5-yl)thiophen-3-yl]oxy}acetic acid
Last Modified17 October 2009
DownloadsMolfile
FormulaC25H25BrN6O5S2
Net Charge0
Average Mass633.550
Monoisotopic Mass632.05112
SMILES[H]OC(=O)C([H])([H])Oc1c(-c2nnn([H])n2)sc(-c2c([H])c([H])c([H])c(N([H])C3([H])C([H])([H])C([H])([H])N(S(=O)(=O)C([H])([H])c4c([H])c([H])c([H])c([H])c4[H])C([H])([H])C3([H])[H])c2[H])c1Br
InChIInChI=1S/C25H25BrN6O5S2/c26-21-22(37-14-20(33)34)24(25-28-30-31-29-25)38-23(21)17-7-4-8-19(13-17)27-18-9-11-32(12-10-18)39(35,36)15-16-5-2-1-3-6-16/h1-8,13,18,27H,9-12,14-15H2,(H,33,34)(H,28,29,30,31)
InChIKeyXUNHAAXAXQCMHA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
{[5-(3-{[1-(benzylsulfonyl)piperidin-4-yl]amino}phenyl)-4-bromo-2-(2H-tetrazol-5-yl)thiophen-3-yl]oxy}acetic acid (CHEBI:47182) has functional parent acetic acid (CHEBI:15366)
{[5-(3-{[1-(benzylsulfonyl)piperidin-4-yl]amino}phenyl)-4-bromo-2-(2H-tetrazol-5-yl)thiophen-3-yl]oxy}acetic acid (CHEBI:47182) is a aminopiperidine (CHEBI:48588)
{[5-(3-{[1-(benzylsulfonyl)piperidin-4-yl]amino}phenyl)-4-bromo-2-(2H-tetrazol-5-yl)thiophen-3-yl]oxy}acetic acid (CHEBI:47182) is a organobromine compound (CHEBI:37141)
{[5-(3-{[1-(benzylsulfonyl)piperidin-4-yl]amino}phenyl)-4-bromo-2-(2H-tetrazol-5-yl)thiophen-3-yl]oxy}acetic acid (CHEBI:47182) is a sulfonamide (CHEBI:35358)
{[5-(3-{[1-(benzylsulfonyl)piperidin-4-yl]amino}phenyl)-4-bromo-2-(2H-tetrazol-5-yl)thiophen-3-yl]oxy}acetic acid (CHEBI:47182) is a tetrazoles (CHEBI:35689)
{[5-(3-{[1-(benzylsulfonyl)piperidin-4-yl]amino}phenyl)-4-bromo-2-(2H-tetrazol-5-yl)thiophen-3-yl]oxy}acetic acid (CHEBI:47182) is a thiophenes (CHEBI:26961)
Synonyms  Source
{[5-(3-{[1-(BENZYLSULFONYL)PIPERIDIN-4-YL]AMINO}PHENYL)-4-BROMO-2-(2H-TETRAZOL-5-YL)-3-THIENYL]OXY}ACETIC ACIDPDBeChem
{[5-(3-{[1-(benzylsulfonyl)piperidin-4-yl]amino}phenyl)-4-bromo-2-(2H-tetrazol-5-yl)thiophen-3-yl]oxy}acetic acidPDBeChem
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