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

Systemtic Name: [3-methyl-5-[2-oxidanylidene-2-(pyridin-4-ylamino)ethoxy]phenyl] benzenesulfonate Openeye Name: [3-methyl-5-[2-oxo-2-(4-pyridylamino)ethoxy]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-methyl-5-[2-oxo-2-(pyridin-4-ylamino)ethoxy]phenyl] ester IUPAC Name: [3-methyl-5-[2-oxo-2-(pyridin-4-ylamino)ethoxy]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-[2-keto-2-(4-pyridylamino)ethoxy]-5-methyl-phenyl] ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2)OCC(=O)NC3=CC=NC=C3

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2)OCC(=O)NC3=CC=NC=C3

InChI

InChI=1S/C20H18N2O5S/c1-15-11-17(26-14-20(23)22-16-7-9-21-10-8-16)13-18(12-15)27-28(24,25)19-5-3-2-4-6-19/h2-13H,14H2,1H3,(H,21,22,23)