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

Systemtic Name: [5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl] quinoline-8-sulfonate Openeye Name: [5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl] quinoline-8-sulfonate CAS Name: 8-quinolinesulfonic acid [5-tert-butyl-2-(3,4-dichlorophenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl] quinoline-8-sulfonate Traditional Name: quinoline-8-sulfonic acid [5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl] ester Formula: C22H19Cl2N3O3S MolecularWeight: 476.37556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19Cl2N3O3S/c1-22(2,3)19-13-20(27(26-19)15-9-10-16(23)17(24)12-15)30-31(28,29)18-8-4-6-14-7-5-11-25-21(14)18/h4-13H,1-3H3