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

Systemtic Name: [3-ethyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl] benzenesulfonate Openeye Name: [3-ethyl-5-[2-(4-pyridylamino)ethoxy]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-ethyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl] ester IUPAC Name: [3-ethyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-ethyl-5-[2-(4-pyridylamino)ethoxy]phenyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2)OCCNC3=CC=NC=C3

Isomeric SMILES

CCC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2)OCCNC3=CC=NC=C3

InChI

InChI=1S/C21H22N2O4S/c1-2-17-14-19(26-13-12-23-18-8-10-22-11-9-18)16-20(15-17)27-28(24,25)21-6-4-3-5-7-21/h3-11,14-16H,2,12-13H2,1H3,(H,22,23)