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CHEBI:94839 - N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide

ChEBI IDCHEBI:94839
ChEBI NameN-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide
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Formula2C20H36N2O3S
Net Charge0
Average Mass769.172
Monoisotopic Mass768.48933
SMILESCCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1.CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/2C20H36N2O3S/c2*1-4-6-7-8-9-16-22(5-2)17-10-11-20(23)18-12-14-19(15-13-18)21-26(3,24)25/h2*12-15,20-21,23H,4-11,16-17H2,1-3H3
InChIKeyHECQGWSAKVGEID-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide (CHEBI:94839) is a benzenes (CHEBI:22712)
N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide (CHEBI:94839) is a organic amino compound (CHEBI:50047)
Manual XrefsDatabases
LSM-6054LINCS