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

Systemtic Name: [3-methyl-5-[2-(pyridazin-4-ylamino)ethoxy]phenyl] 4-cyanobenzenesulfonate Openeye Name: [3-methyl-5-[2-(pyridazin-4-ylamino)ethoxy]phenyl] 4-cyanobenzenesulfonate CAS Name: 4-cyanobenzenesulfonic acid [3-methyl-5-[2-(4-pyridazinylamino)ethoxy]phenyl] ester IUPAC Name: [3-methyl-5-[2-(pyridazin-4-ylamino)ethoxy]phenyl] 4-cyanobenzenesulfonate Traditional Name: 4-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=C(C=C2)C#N)OCCNC3=CN=NC=C3

Isomeric SMILES

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

InChI

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