1-[(1-phenylpyrazol-4-yl)methyl]-4-[4-(trifluoromethyl)phenyl]sulfonyl-piperazine

Systemtic Name: 1-[(1-phenylpyrazol-4-yl)methyl]-4-[4-(trifluoromethyl)phenyl]sulfonyl-piperazine Openeye Name: 1-[(1-phenylpyrazol-4-yl)methyl]-4-[4-(trifluoromethyl)phenyl]sulfonyl-piperazine CAS Name: 1-[(1-phenyl-4-pyrazolyl)methyl]-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine IUPAC Name: 1-[(1-phenylpyrazol-4-yl)methyl]-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine Traditional Name: 1-[(1-phenylpyrazol-4-yl)methyl]-4-[4-(trifluoromethyl)phenyl]sulfonyl-piperazine Formula: C21H21F3N4O2S MolecularWeight: 450.47725

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN(N=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CC2=CN(N=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H21F3N4O2S/c22-21(23,24)18-6-8-20(9-7-18)31(29,30)27-12-10-26(11-13-27)15-17-14-25-28(16-17)19-4-2-1-3-5-19/h1-9,14,16H,10-13,15H2