[2-(3,4-dichlorophenyl)-5-propan-2-yl-pyrazol-3-yl] quinoline-8-sulfonate

Systemtic Name: [2-(3,4-dichlorophenyl)-5-propan-2-yl-pyrazol-3-yl] quinoline-8-sulfonate Openeye Name: [2-(3,4-dichlorophenyl)-5-isopropyl-pyrazol-3-yl] quinoline-8-sulfonate CAS Name: 8-quinolinesulfonic acid [2-(3,4-dichlorophenyl)-5-propan-2-yl-3-pyrazolyl] ester IUPAC Name: [2-(3,4-dichlorophenyl)-5-propan-2-ylpyrazol-3-yl] quinoline-8-sulfonate Traditional Name: quinoline-8-sulfonic acid [2-(3,4-dichlorophenyl)-5-isopropyl-pyrazol-3-yl] ester Formula: C21H17Cl2N3O3S MolecularWeight: 462.34898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17Cl2N3O3S/c1-13(2)18-12-20(26(25-18)15-8-9-16(22)17(23)11-15)29-30(27,28)19-7-3-5-14-6-4-10-24-21(14)19/h3-13H,1-2H3