[2-(6-chloranylpyridazin-3-yl)-5-methyl-4-[1-(4-methylphenyl)sulfonyl-4H-pyridin-4-yl]pyrazol-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-(6-chloranylpyridazin-3-yl)-5-methyl-4-[1-(4-methylphenyl)sulfonyl-4H-pyridin-4-yl]pyrazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [2-(6-chloropyridazin-3-yl)-5-methyl-4-[1-(p-tolylsulfonyl)-4H-pyridin-4-yl]pyrazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(6-chloro-3-pyridazinyl)-5-methyl-4-[1-(4-methylphenyl)sulfonyl-4H-pyridin-4-yl]-3-pyrazolyl] ester IUPAC Name: [2-(6-chloropyridazin-3-yl)-5-methyl-4-[1-(4-methylphenyl)sulfonyl-4H-pyridin-4-yl]pyrazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(6-chloropyridazin-3-yl)-5-methyl-4-(1-tosyl-4H-pyridin-4-yl)pyrazol-3-yl] ester Formula: C27H24ClN5O5S2 MolecularWeight: 598.09296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(C=C2)C3=C(N(N=C3C)C4=NN=C(C=C4)Cl)OS(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(C=C2)C3=C(N(N=C3C)C4=NN=C(C=C4)Cl)OS(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C27H24ClN5O5S2/c1-18-4-8-22(9-5-18)39(34,35)32-16-14-21(15-17-32)26-20(3)31-33(25-13-12-24(28)29-30-25)27(26)38-40(36,37)23-10-6-19(2)7-11-23/h4-17,21H,1-3H3