[2-(4-methylphenyl)-5-phenyl-pyrazol-3-yl] butane-1-sulfonate

Systemtic Name: [2-(4-methylphenyl)-5-phenyl-pyrazol-3-yl] butane-1-sulfonate Openeye Name: [5-phenyl-2-(p-tolyl)pyrazol-3-yl] butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: [2-(4-methylphenyl)-5-phenylpyrazol-3-yl] butane-1-sulfonate Traditional Name: butane-1-sulfonic acid [5-phenyl-2-(p-tolyl)pyrazol-3-yl] ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)OC1=CC(=NN1C2=CC=C(C=C2)C)C3=CC=CC=C3

Isomeric SMILES

CCCCS(=O)(=O)OC1=CC(=NN1C2=CC=C(C=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O3S/c1-3-4-14-26(23,24)25-20-15-19(17-8-6-5-7-9-17)21-22(20)18-12-10-16(2)11-13-18/h5-13,15H,3-4,14H2,1-2H3