[4-(pyridazin-3-ylmethylsulfonyl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(pyridazin-3-ylmethylsulfonyl)phenyl] 4-methylbenzenesulfonate Openeye Name: [4-(pyridazin-3-ylmethylsulfonyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(3-pyridazinylmethylsulfonyl)phenyl] ester IUPAC Name: [4-(pyridazin-3-ylmethylsulfonyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(pyridazin-3-ylmethylsulfonyl)phenyl] ester Formula: C18H16N2O5S2 MolecularWeight: 404.46004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)S(=O)(=O)CC3=NN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)S(=O)(=O)CC3=NN=CC=C3

InChI

InChI=1S/C18H16N2O5S2/c1-14-4-8-18(9-5-14)27(23,24)25-16-6-10-17(11-7-16)26(21,22)13-15-3-2-12-19-20-15/h2-12H,13H2,1H3