1-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfonyl-piperazine

Systemtic Name: 1-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfonyl-piperazine Openeye Name: 1-[(3-chloro-4-fluoro-phenyl)methyl]-4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfonyl-piperazine CAS Name: 1-[(3-chloro-4-fluorophenyl)methyl]-4-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)sulfonyl]piperazine IUPAC Name: 1-[(3-chloro-4-fluorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine Traditional Name: 1-(3-chloro-4-fluoro-benzyl)-4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfonyl-piperazine Formula: C22H24ClFN4O2S MolecularWeight: 462.967963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)S(=O)(=O)N3CCN(CC3)CC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)S(=O)(=O)N3CCN(CC3)CC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C22H24ClFN4O2S/c1-16-22(17(2)28(25-16)19-6-4-3-5-7-19)31(29,30)27-12-10-26(11-13-27)15-18-8-9-21(24)20(23)14-18/h3-9,14H,10-13,15H2,1-2H3