[3-methyl-5-[2-(pyridazin-4-ylamino)ethoxy]phenyl] 2,3,5,6-tetramethylbenzenesulfonate

Systemtic Name: [3-methyl-5-[2-(pyridazin-4-ylamino)ethoxy]phenyl] 2,3,5,6-tetramethylbenzenesulfonate Openeye Name: [3-methyl-5-[2-(pyridazin-4-ylamino)ethoxy]phenyl] 2,3,5,6-tetramethylbenzenesulfonate CAS Name: 2,3,5,6-tetramethylbenzenesulfonic acid [3-methyl-5-[2-(4-pyridazinylamino)ethoxy]phenyl] ester IUPAC Name: [3-methyl-5-[2-(pyridazin-4-ylamino)ethoxy]phenyl] 2,3,5,6-tetramethylbenzenesulfonate Traditional Name: 2,3,5,6-tetramethylbenzenesulfonic acid [3-methyl-5-[2-(pyridazin-4-ylamino)ethoxy]phenyl] ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=C(C(=CC(=C2C)C)C)C)OCCNC3=CN=NC=C3

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=C(C(=CC(=C2C)C)C)C)OCCNC3=CN=NC=C3

InChI

InChI=1S/C23H27N3O4S/c1-15-10-21(29-9-8-24-20-6-7-25-26-14-20)13-22(11-15)30-31(27,28)23-18(4)16(2)12-17(3)19(23)5/h6-7,10-14H,8-9H2,1-5H3,(H,24,25)