[3-methyl-5-[2-(pyridazin-4-ylamino)ethoxy]phenyl] pyridine-3-sulfonate

Systemtic Name: [3-methyl-5-[2-(pyridazin-4-ylamino)ethoxy]phenyl] pyridine-3-sulfonate Openeye Name: [3-methyl-5-[2-(pyridazin-4-ylamino)ethoxy]phenyl] pyridine-3-sulfonate CAS Name: 3-pyridinesulfonic acid [3-methyl-5-[2-(4-pyridazinylamino)ethoxy]phenyl] ester IUPAC Name: [3-methyl-5-[2-(pyridazin-4-ylamino)ethoxy]phenyl] pyridine-3-sulfonate Traditional Name: pyridine-3-sulfonic acid [3-methyl-5-[2-(pyridazin-4-ylamino)ethoxy]phenyl] ester Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O4S/c1-14-9-16(25-8-7-20-15-4-6-21-22-12-15)11-17(10-14)26-27(23,24)18-3-2-5-19-13-18/h2-6,9-13H,7-8H2,1H3,(H,20,21)