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

Systemtic Name: [2-(4-methylphenyl)-5-propan-2-yl-pyrazol-3-yl] quinoline-8-sulfonate Openeye Name: [5-isopropyl-2-(p-tolyl)pyrazol-3-yl] quinoline-8-sulfonate CAS Name: 8-quinolinesulfonic acid [2-(4-methylphenyl)-5-propan-2-yl-3-pyrazolyl] ester IUPAC Name: [2-(4-methylphenyl)-5-propan-2-ylpyrazol-3-yl] quinoline-8-sulfonate Traditional Name: quinoline-8-sulfonic acid [5-isopropyl-2-(p-tolyl)pyrazol-3-yl] ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O3S/c1-15(2)19-14-21(25(24-19)18-11-9-16(3)10-12-18)28-29(26,27)20-8-4-6-17-7-5-13-23-22(17)20/h4-15H,1-3H3