[2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(4-methoxyphenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(4-methoxyphenyl)-5-phenylpyrazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN2C3=CC=C(C=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN2C3=CC=C(C=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C23H20N2O4S/c1-17-8-14-21(15-9-17)30(26,27)29-23-16-22(18-6-4-3-5-7-18)24-25(23)19-10-12-20(28-2)13-11-19/h3-16H,1-2H3