[3-ethyl-5-[2-oxidanylidene-2-(pyridin-4-ylamino)ethoxy]phenyl] benzenesulfonate

Systemtic Name: [3-ethyl-5-[2-oxidanylidene-2-(pyridin-4-ylamino)ethoxy]phenyl] benzenesulfonate Openeye Name: [3-ethyl-5-[2-oxo-2-(4-pyridylamino)ethoxy]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-ethyl-5-[2-oxo-2-(pyridin-4-ylamino)ethoxy]phenyl] ester IUPAC Name: [3-ethyl-5-[2-oxo-2-(pyridin-4-ylamino)ethoxy]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-ethyl-5-[2-keto-2-(4-pyridylamino)ethoxy]phenyl] ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2)OCC(=O)NC3=CC=NC=C3

Isomeric SMILES

CCC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2)OCC(=O)NC3=CC=NC=C3

InChI

InChI=1S/C21H20N2O5S/c1-2-16-12-18(27-15-21(24)23-17-8-10-22-11-9-17)14-19(13-16)28-29(25,26)20-6-4-3-5-7-20/h3-14H,2,15H2,1H3,(H,22,23,24)