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

Systemtic Name: ethyl 2-[4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]ethanoate Openeye Name: ethyl 2-[4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]acetate CAS Name: 2-[4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-1-pyrazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]acetate Traditional Name: 2-[4-(4-chlorophenyl)-3-(4-mesylphenyl)pyrazol-1-yl]acetic acid ethyl ester Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O4S/c1-3-27-19(24)13-23-12-18(14-4-8-16(21)9-5-14)20(22-23)15-6-10-17(11-7-15)28(2,25)26/h4-12H,3,13H2,1-2H3