(5-methyl-2-phenyl-pyrazol-3-yl) 4-methoxybenzenesulfonate

Systemtic Name: (5-methyl-2-phenyl-pyrazol-3-yl) 4-methoxybenzenesulfonate Openeye Name: (5-methyl-2-phenyl-pyrazol-3-yl) 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid (5-methyl-2-phenyl-3-pyrazolyl) ester IUPAC Name: (5-methyl-2-phenylpyrazol-3-yl) 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid (5-methyl-2-phenyl-pyrazol-3-yl) ester Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C17H16N2O4S/c1-13-12-17(19(18-13)14-6-4-3-5-7-14)23-24(20,21)16-10-8-15(22-2)9-11-16/h3-12H,1-2H3