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

Systemtic Name: [2-(2,4-dimethylphenyl)-5-propan-2-yl-pyrazol-3-yl] quinoline-8-sulfonate Openeye Name: [2-(2,4-dimethylphenyl)-5-isopropyl-pyrazol-3-yl] quinoline-8-sulfonate CAS Name: 8-quinolinesulfonic acid [2-(2,4-dimethylphenyl)-5-propan-2-yl-3-pyrazolyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-5-propan-2-ylpyrazol-3-yl] quinoline-8-sulfonate Traditional Name: quinoline-8-sulfonic acid [2-(2,4-dimethylphenyl)-5-isopropyl-pyrazol-3-yl] ester Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC(=N2)C(C)C)OS(=O)(=O)C3=CC=CC4=C3N=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(=N2)C(C)C)OS(=O)(=O)C3=CC=CC4=C3N=CC=C4)C

InChI

InChI=1S/C23H23N3O3S/c1-15(2)19-14-22(26(25-19)20-11-10-16(3)13-17(20)4)29-30(27,28)21-9-5-7-18-8-6-12-24-23(18)21/h5-15H,1-4H3