[2-(2,3-dimethylphenyl)-5-propyl-pyrazol-3-yl] benzenesulfonate

Systemtic Name: [2-(2,3-dimethylphenyl)-5-propyl-pyrazol-3-yl] benzenesulfonate Openeye Name: [2-(2,3-dimethylphenyl)-5-propyl-pyrazol-3-yl] benzenesulfonate CAS Name: benzenesulfonic acid [2-(2,3-dimethylphenyl)-5-propyl-3-pyrazolyl] ester IUPAC Name: [2-(2,3-dimethylphenyl)-5-propylpyrazol-3-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-(2,3-dimethylphenyl)-5-propyl-pyrazol-3-yl] ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)OS(=O)(=O)C2=CC=CC=C2)C3=CC=CC(=C3C)C

Isomeric SMILES

CCCC1=NN(C(=C1)OS(=O)(=O)C2=CC=CC=C2)C3=CC=CC(=C3C)C

InChI

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