1-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine

Systemtic Name: 1-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine Openeye Name: 1-[(3-chloro-4-fluoro-phenyl)methyl]-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine CAS Name: 1-[(3-chloro-4-fluorophenyl)methyl]-4-(2,4,6-trimethylphenyl)sulfonylpiperazine IUPAC Name: 1-[(3-chloro-4-fluorophenyl)methyl]-4-(2,4,6-trimethylphenyl)sulfonylpiperazine Traditional Name: 1-(3-chloro-4-fluoro-benzyl)-4-mesitylsulfonyl-piperazine Formula: C20H24ClFN2O2S MolecularWeight: 410.933163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)CC3=CC(=C(C=C3)F)Cl)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)CC3=CC(=C(C=C3)F)Cl)C

InChI

InChI=1S/C20H24ClFN2O2S/c1-14-10-15(2)20(16(3)11-14)27(25,26)24-8-6-23(7-9-24)13-17-4-5-19(22)18(21)12-17/h4-5,10-12H,6-9,13H2,1-3H3