The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Id http://purl.obolibrary.org/obo/dinto_DB07944
http://purl.obolibrary.org/obo/dinto_DB07944
Preferred Name

n-{3-methyl-5-[2-(pyridin-4-ylamino)-ethoxy]-phenyl}-benzenesulfonamide
Synonyms
4-{[2-(3-benzenesulfonamido-5-methylphenoxy)ethyl]amino}pyridin-1-ium
C20H22N3O3S
Type http://www.w3.org/2002/07/owl#Class

All Properties

prefLabel
n-{3-methyl-5-[2-(pyridin-4-ylamino)-ethoxy]-phenyl}-benzenesulfonamide
label
n-{3-methyl-5-[2-(pyridin-4-ylamino)-ethoxy]-phenyl}-benzenesulfonamide
type
InChIKey
InChIKey=MPTWCWHNLVMCRW-UHFFFAOYSA-O
Synonym
4-{[2-(3-benzenesulfonamido-5-methylphenoxy)ethyl]amino}pyridin-1-ium
C20H22N3O3S
xref
ChemSpider:395605
PubChem Compound:448955
PDB:I48
PubChem Substance:99444415
prefixIRI
obo2:dinto_DB07944
related with
SMILES
CC1=CC(OCCNC2=CC=[NH+]C=C2)=CC(NS(=O)(=O)C2=CC=CC=C2)=C1
InChI
InChI=1S/C20H21N3O3S/c1-16-13-18(23-27(24,25)20-5-3-2-4-6-20)15-19(14-16)26-12-11-22-17-7-9-21-10-8-17/h2-10,13-15,23H,11-12H2,1H3,(H,21,22)/p+1
subClassOf
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