[3-(4-methylsulfonylphenyl)-4-phenyl-pyrazol-1-yl] butanoate

Systemtic Name: [3-(4-methylsulfonylphenyl)-4-phenyl-pyrazol-1-yl] butanoate Openeye Name: [3-(4-methylsulfonylphenyl)-4-phenyl-pyrazol-1-yl] butanoate CAS Name: butanoic acid [3-(4-methylsulfonylphenyl)-4-phenyl-1-pyrazolyl] ester IUPAC Name: [3-(4-methylsulfonylphenyl)-4-phenylpyrazol-1-yl] butanoate Traditional Name: butyric acid [3-(4-mesylphenyl)-4-phenyl-pyrazol-1-yl] ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)ON1C=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3

Isomeric SMILES

CCCC(=O)ON1C=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3

InChI

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