[5-ethyl-2-(3-methylphenyl)pyrazol-3-yl] quinoline-8-sulfonate

Systemtic Name: [5-ethyl-2-(3-methylphenyl)pyrazol-3-yl] quinoline-8-sulfonate Openeye Name: [5-ethyl-2-(m-tolyl)pyrazol-3-yl] quinoline-8-sulfonate CAS Name: 8-quinolinesulfonic acid [5-ethyl-2-(3-methylphenyl)-3-pyrazolyl] ester IUPAC Name: [5-ethyl-2-(3-methylphenyl)pyrazol-3-yl] quinoline-8-sulfonate Traditional Name: quinoline-8-sulfonic acid [5-ethyl-2-(m-tolyl)pyrazol-3-yl] ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O3S/c1-3-17-14-20(24(23-17)18-10-4-7-15(2)13-18)27-28(25,26)19-11-5-8-16-9-6-12-22-21(16)19/h4-14H,3H2,1-2H3