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

Systemtic Name: [2-(3-chlorophenyl)-5-propan-2-yl-pyrazol-3-yl] quinoline-8-sulfonate Openeye Name: [2-(3-chlorophenyl)-5-isopropyl-pyrazol-3-yl] quinoline-8-sulfonate CAS Name: 8-quinolinesulfonic acid [2-(3-chlorophenyl)-5-propan-2-yl-3-pyrazolyl] ester IUPAC Name: [2-(3-chlorophenyl)-5-propan-2-ylpyrazol-3-yl] quinoline-8-sulfonate Traditional Name: quinoline-8-sulfonic acid [2-(3-chlorophenyl)-5-isopropyl-pyrazol-3-yl] ester Formula: C21H18ClN3O3S MolecularWeight: 427.90392

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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(=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O3S/c1-14(2)18-13-20(25(24-18)17-9-4-8-16(22)12-17)28-29(26,27)19-10-3-6-15-7-5-11-23-21(15)19/h3-14H,1-2H3