pyridazin-4-yl 2-chloranyl-5-(2-cyclopropyl-6-methyl-phenoxy)-4-methoxy-benzenesulfonate

Systemtic Name: pyridazin-4-yl 2-chloranyl-5-(2-cyclopropyl-6-methyl-phenoxy)-4-methoxy-benzenesulfonate Openeye Name: pyridazin-4-yl 2-chloro-5-(2-cyclopropyl-6-methyl-phenoxy)-4-methoxy-benzenesulfonate CAS Name: 2-chloro-5-(2-cyclopropyl-6-methylphenoxy)-4-methoxybenzenesulfonic acid 4-pyridazinyl ester IUPAC Name: pyridazin-4-yl 2-chloro-5-(2-cyclopropyl-6-methylphenoxy)-4-methoxybenzenesulfonate Traditional Name: 2-chloro-5-(2-cyclopropyl-6-methyl-phenoxy)-4-methoxy-benzenesulfonic acid pyridazin-4-yl ester Formula: C21H19ClN2O5S MolecularWeight: 446.90396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC2=CC(=C(C=C2OC)Cl)S(=O)(=O)OC3=CN=NC=C3)C4CC4

Isomeric SMILES

CC1=CC=CC(=C1OC2=CC(=C(C=C2OC)Cl)S(=O)(=O)OC3=CN=NC=C3)C4CC4

InChI

InChI=1S/C21H19ClN2O5S/c1-13-4-3-5-16(14-6-7-14)21(13)28-19-11-20(17(22)10-18(19)27-2)30(25,26)29-15-8-9-23-24-12-15/h3-5,8-12,14H,6-7H2,1-2H3