ethyl 2-[4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]ethanoate Openeye Name: ethyl 2-[4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]acetate CAS Name: 2-[4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-1-pyrazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]acetate Traditional Name: 2-[3-(4-mesylphenyl)-4-(4-methoxyphenyl)pyrazol-1-yl]acetic acid ethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)CN1C=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H22N2O5S/c1-4-28-20(24)14-23-13-19(15-5-9-17(27-2)10-6-15)21(22-23)16-7-11-18(12-8-16)29(3,25)26/h5-13H,4,14H2,1-3H3