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

Systemtic Name: [3-methyl-5-[2-(pyridazin-4-ylamino)ethoxy]phenyl] benzenesulfonate Openeye Name: [3-methyl-5-[2-(pyridazin-4-ylamino)ethoxy]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-methyl-5-[2-(4-pyridazinylamino)ethoxy]phenyl] ester IUPAC Name: [3-methyl-5-[2-(pyridazin-4-ylamino)ethoxy]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-methyl-5-[2-(pyridazin-4-ylamino)ethoxy]phenyl] ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O4S/c1-15-11-17(25-10-9-20-16-7-8-21-22-14-16)13-18(12-15)26-27(23,24)19-5-3-2-4-6-19/h2-8,11-14H,9-10H2,1H3,(H,20,21)