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

Systemtic Name: [2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl] benzenesulfonate Openeye Name: [2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl] benzenesulfonate CAS Name: benzenesulfonic acid [2-(4-methoxyphenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(4-methoxyphenyl)-5-phenylpyrazol-3-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)OS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)OS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H18N2O4S/c1-27-19-14-12-18(13-15-19)24-22(16-21(23-24)17-8-4-2-5-9-17)28-29(25,26)20-10-6-3-7-11-20/h2-16H,1H3