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

Systemtic Name: [3-methyl-5-[2-(pyridazin-4-ylamino)ethoxy]phenyl] 3-chloranylbenzenesulfonate Openeye Name: [3-methyl-5-[2-(pyridazin-4-ylamino)ethoxy]phenyl] 3-chlorobenzenesulfonate CAS Name: 3-chlorobenzenesulfonic acid [3-methyl-5-[2-(4-pyridazinylamino)ethoxy]phenyl] ester IUPAC Name: [3-methyl-5-[2-(pyridazin-4-ylamino)ethoxy]phenyl] 3-chlorobenzenesulfonate Traditional Name: 3-chlorobenzenesulfonic acid [3-methyl-5-[2-(pyridazin-4-ylamino)ethoxy]phenyl] ester Formula: C19H18ClN3O4S MolecularWeight: 419.88192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O4S/c1-14-9-17(26-8-7-21-16-5-6-22-23-13-16)12-18(10-14)27-28(24,25)19-4-2-3-15(20)11-19/h2-6,9-13H,7-8H2,1H3,(H,21,22)