[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 4-methylsulfonylbenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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