[2-(1-phenylpyrazol-4-yl)carbonylphenyl] quinoline-8-sulfonate

Systemtic Name: [2-(1-phenylpyrazol-4-yl)carbonylphenyl] quinoline-8-sulfonate Openeye Name: [2-(1-phenylpyrazole-4-carbonyl)phenyl] quinoline-8-sulfonate CAS Name: 8-quinolinesulfonic acid [2-[oxo-(1-phenyl-4-pyrazolyl)methyl]phenyl] ester IUPAC Name: [2-(1-phenylpyrazole-4-carbonyl)phenyl] quinoline-8-sulfonate Traditional Name: quinoline-8-sulfonic acid [2-(1-phenylpyrazole-4-carbonyl)phenyl] ester Formula: C25H17N3O4S MolecularWeight: 455.48518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C(=O)C3=CC=CC=C3OS(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)C(=O)C3=CC=CC=C3OS(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C25H17N3O4S/c29-25(19-16-27-28(17-19)20-10-2-1-3-11-20)21-12-4-5-13-22(21)32-33(30,31)23-14-6-8-18-9-7-15-26-24(18)23/h1-17H