[2-(1-phenylpyrazol-4-yl)carbonylphenyl] 3,5-dimethyl-1,2-oxazole-4-sulfonate

Systemtic Name: [2-(1-phenylpyrazol-4-yl)carbonylphenyl] 3,5-dimethyl-1,2-oxazole-4-sulfonate Openeye Name: [2-(1-phenylpyrazole-4-carbonyl)phenyl] 3,5-dimethylisoxazole-4-sulfonate CAS Name: 3,5-dimethyl-4-isoxazolesulfonic acid [2-[oxo-(1-phenyl-4-pyrazolyl)methyl]phenyl] ester IUPAC Name: [2-(1-phenylpyrazole-4-carbonyl)phenyl] 3,5-dimethyl-1,2-oxazole-4-sulfonate Traditional Name: 3,5-dimethylisoxazole-4-sulfonic acid [2-(1-phenylpyrazole-4-carbonyl)phenyl] ester Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)OC2=CC=CC=C2C(=O)C3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)OC2=CC=CC=C2C(=O)C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O5S/c1-14-21(15(2)28-23-14)30(26,27)29-19-11-7-6-10-18(19)20(25)16-12-22-24(13-16)17-8-4-3-5-9-17/h3-13H,1-2H3