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

Systemtic Name: [5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl] quinoline-8-sulfonate Openeye Name: [5-tert-butyl-2-(p-tolyl)pyrazol-3-yl] quinoline-8-sulfonate CAS Name: 8-quinolinesulfonic acid [5-tert-butyl-2-(4-methylphenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl] quinoline-8-sulfonate Traditional Name: quinoline-8-sulfonic acid [5-tert-butyl-2-(p-tolyl)pyrazol-3-yl] ester Formula: C23H23N3O3S MolecularWeight: 421.51202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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