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

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ChEBI Name	N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide

ChEBI ID	CHEBI:94839

Stars	This entity has been manually annotated by a third party.

Supplier Information

Download	Molfile XML SDF

Formula

C40H72N4O6S2

Net Charge

Average Mass

769.157

Monoisotopic Mass

768.48933

InChI

InChI=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

InChIKey

HECQGWSAKVGEID-UHFFFAOYSA-N

SMILES

CCCCCCCN(CC)CCCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.CCCCCCCN(CC)CCCC(C1=CC=C(C=C1)NS(=O)(=O)C)O

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

ChEBI Ontology
Outgoing	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)