[3-(2-pyridin-2-ylethylsulfonyloxy)phenyl] 2-pyridin-2-ylethanesulfonate

Systemtic Name: [3-(2-pyridin-2-ylethylsulfonyloxy)phenyl] 2-pyridin-2-ylethanesulfonate Openeye Name: [3-[2-(2-pyridyl)ethylsulfonyloxy]phenyl] 2-(2-pyridyl)ethanesulfonate CAS Name: 2-(2-pyridinyl)ethanesulfonic acid [3-[2-(2-pyridinyl)ethylsulfonyloxy]phenyl] ester IUPAC Name: [3-(2-pyridin-2-ylethylsulfonyloxy)phenyl] 2-pyridin-2-ylethanesulfonate Traditional Name: 2-(2-pyridyl)ethanesulfonic acid [3-[2-(2-pyridyl)ethylsulfonyloxy]phenyl] ester Formula: C20H20N2O6S2 MolecularWeight: 448.5126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCS(=O)(=O)OC2=CC(=CC=C2)OS(=O)(=O)CCC3=CC=CC=N3

Isomeric SMILES

C1=CC=NC(=C1)CCS(=O)(=O)OC2=CC(=CC=C2)OS(=O)(=O)CCC3=CC=CC=N3

InChI

InChI=1S/C20H20N2O6S2/c23-29(24,14-10-17-6-1-3-12-21-17)27-19-8-5-9-20(16-19)28-30(25,26)15-11-18-7-2-4-13-22-18/h1-9,12-13,16H,10-11,14-15H2