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

Systemtic Name: ethyl 4-[4-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)pyrazol-3-yl]benzoate Openeye Name: ethyl 4-[4-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)pyrazol-3-yl]benzoate CAS Name: 4-[4-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)-3-pyrazolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)pyrazol-3-yl]benzoate Traditional Name: 4-[4-(3-chlorophenyl)-2-(4-mesylphenyl)pyrazol-3-yl]benzoic acid ethyl ester Formula: C25H21ClN2O4S MolecularWeight: 480.96324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=C(C=NN2C3=CC=C(C=C3)S(=O)(=O)C)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=C(C=NN2C3=CC=C(C=C3)S(=O)(=O)C)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H21ClN2O4S/c1-3-32-25(29)18-9-7-17(8-10-18)24-23(19-5-4-6-20(26)15-19)16-27-28(24)21-11-13-22(14-12-21)33(2,30)31/h4-16H,3H2,1-2H3