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

Systemtic Name: [3-methyl-5-[2-(pyridazin-4-ylamino)ethoxy]phenyl] 3-cyanobenzenesulfonate Openeye Name: [3-methyl-5-[2-(pyridazin-4-ylamino)ethoxy]phenyl] 3-cyanobenzenesulfonate CAS Name: 3-cyanobenzenesulfonic acid [3-methyl-5-[2-(4-pyridazinylamino)ethoxy]phenyl] ester IUPAC Name: [3-methyl-5-[2-(pyridazin-4-ylamino)ethoxy]phenyl] 3-cyanobenzenesulfonate Traditional Name: 3-cyanobenzenesulfonic acid [3-methyl-5-[2-(pyridazin-4-ylamino)ethoxy]phenyl] ester Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O4S/c1-15-9-18(27-8-7-22-17-5-6-23-24-14-17)12-19(10-15)28-29(25,26)20-4-2-3-16(11-20)13-21/h2-6,9-12,14H,7-8H2,1H3,(H,22,23)