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

Systemtic Name: [3-methyl-5-[2-(pyridazin-4-ylamino)ethoxy]phenyl] 2-chloranylbenzenesulfonate Openeye Name: [3-methyl-5-[2-(pyridazin-4-ylamino)ethoxy]phenyl] 2-chlorobenzenesulfonate CAS Name: 2-chlorobenzenesulfonic acid [3-methyl-5-[2-(4-pyridazinylamino)ethoxy]phenyl] ester IUPAC Name: [3-methyl-5-[2-(pyridazin-4-ylamino)ethoxy]phenyl] 2-chlorobenzenesulfonate Traditional Name: 2-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=C2Cl)OCCNC3=CN=NC=C3

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2Cl)OCCNC3=CN=NC=C3

InChI

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