[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-methyl-5-[2-(4-pyridylamino)ethoxy]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl] ester IUPAC Name: [3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-methyl-5-[2-(4-pyridylamino)ethoxy]phenyl] ester Formula: C20H19FN2O4S MolecularWeight: 402.439263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=C(C=C2)F)OCCNC3=CC=NC=C3

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=C(C=C2)F)OCCNC3=CC=NC=C3

InChI

InChI=1S/C20H19FN2O4S/c1-15-12-18(26-11-10-23-17-6-8-22-9-7-17)14-19(13-15)27-28(24,25)20-4-2-16(21)3-5-20/h2-9,12-14H,10-11H2,1H3,(H,22,23)