2-[4-(3-fluoranyl-4-methoxy-phenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]-N,N-dimethyl-ethanamine

Systemtic Name: 2-[4-(3-fluoranyl-4-methoxy-phenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]-N,N-dimethyl-ethanamine Openeye Name: 2-[4-(3-fluoro-4-methoxy-phenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]-N,N-dimethyl-ethanamine CAS Name: 2-[4-(3-fluoro-4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-1-pyrazolyl]-N,N-dimethylethanamine IUPAC Name: 2-[4-(3-fluoro-4-methoxyphenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]-N,N-dimethylethanamine Traditional Name: 2-[4-(3-fluoro-4-methoxy-phenyl)-3-(4-mesylphenyl)pyrazol-1-yl]ethyl-dimethyl-amine Formula: C21H24FN3O3S MolecularWeight: 417.496963

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC(=C(C=C3)OC)F

Isomeric SMILES

CN(C)CCN1C=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H24FN3O3S/c1-24(2)11-12-25-14-18(16-7-10-20(28-3)19(22)13-16)21(23-25)15-5-8-17(9-6-15)29(4,26)27/h5-10,13-14H,11-12H2,1-4H3