(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl 4-methylsulfonylbenzoate

Systemtic Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl 4-methylsulfonylbenzoate Openeye Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid (3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H20N2O4S/c1-14-19(15(2)22(21-14)17-7-5-4-6-8-17)13-26-20(23)16-9-11-18(12-10-16)27(3,24)25/h4-12H,13H2,1-3H3