[5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-yl] quinoline-8-sulfonate

Systemtic Name: [5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-yl] quinoline-8-sulfonate Openeye Name: [5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-yl] quinoline-8-sulfonate CAS Name: 8-quinolinesulfonic acid [5-tert-butyl-2-(3-chlorophenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-yl] quinoline-8-sulfonate Traditional Name: quinoline-8-sulfonic acid [5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-yl] ester Formula: C22H20ClN3O3S MolecularWeight: 441.9305

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN3O3S/c1-22(2,3)19-14-20(26(25-19)17-10-5-9-16(23)13-17)29-30(27,28)18-11-4-7-15-8-6-12-24-21(15)18/h4-14H,1-3H3