2-(1-quinolin-4-yloxyethylamino)ethylsulfanyl hydrogen sulfate

Systemtic Name: 2-(1-quinolin-4-yloxyethylamino)ethylsulfanyl hydrogen sulfate Openeye Name: 2-[1-(4-quinolyloxy)ethylamino]ethylsulfanyl hydrogen sulfate CAS Name: 2-[1-(4-quinolinyloxy)ethylamino]ethanesulfenic acid sulfo ester IUPAC Name: 2-(1-quinolin-4-yloxyethylamino)ethylsulfanyl hydrogen sulfate Traditional Name: sulfuric acid [2-[1-(4-quinolyloxy)ethylamino]ethylthio] ester Formula: C13H16N2O5S2 MolecularWeight: 344.40654

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Descriptors Computed from Structure

Canonical SMILES:

CC(NCCSOS(=O)(=O)O)OC1=CC=NC2=CC=CC=C21

Isomeric SMILES

CC(NCCSOS(=O)(=O)O)OC1=CC=NC2=CC=CC=C21

InChI

InChI=1S/C13H16N2O5S2/c1-10(14-8-9-21-20-22(16,17)18)19-13-6-7-15-12-5-3-2-4-11(12)13/h2-7,10,14H,8-9H2,1H3,(H,16,17,18)