[2-(2,4-dimethylphenyl)-5-ethyl-pyrazol-3-yl] quinoline-8-sulfonate

Systemtic Name: [2-(2,4-dimethylphenyl)-5-ethyl-pyrazol-3-yl] quinoline-8-sulfonate Openeye Name: [2-(2,4-dimethylphenyl)-5-ethyl-pyrazol-3-yl] quinoline-8-sulfonate CAS Name: 8-quinolinesulfonic acid [2-(2,4-dimethylphenyl)-5-ethyl-3-pyrazolyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-5-ethylpyrazol-3-yl] quinoline-8-sulfonate Traditional Name: quinoline-8-sulfonic acid [2-(2,4-dimethylphenyl)-5-ethyl-pyrazol-3-yl] ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)OS(=O)(=O)C2=CC=CC3=C2N=CC=C3)C4=C(C=C(C=C4)C)C

Isomeric SMILES

CCC1=NN(C(=C1)OS(=O)(=O)C2=CC=CC3=C2N=CC=C3)C4=C(C=C(C=C4)C)C

InChI

InChI=1S/C22H21N3O3S/c1-4-18-14-21(25(24-18)19-11-10-15(2)13-16(19)3)28-29(26,27)20-9-5-7-17-8-6-12-23-22(17)20/h5-14H,4H2,1-3H3