1-[2,5-bis(fluoranyl)phenyl]-4-methyl-2-(5-methylsulfonylpentyl)-2-phenyl-3-sulfonyl-piperazine

Systemtic Name: 1-[2,5-bis(fluoranyl)phenyl]-4-methyl-2-(5-methylsulfonylpentyl)-2-phenyl-3-sulfonyl-piperazine Openeye Name: 1-(2,5-difluorophenyl)-4-methyl-2-(5-methylsulfonylpentyl)-2-phenyl-3-sulfonyl-piperazine CAS Name: 1-(2,5-difluorophenyl)-4-methyl-2-(5-methylsulfonylpentyl)-2-phenyl-3-sulfonylpiperazine IUPAC Name: 1-(2,5-difluorophenyl)-4-methyl-2-(5-methylsulfonylpentyl)-2-phenyl-3-sulfonylpiperazine Traditional Name: 1-(2,5-difluorophenyl)-2-(5-mesylpentyl)-4-methyl-2-phenyl-3-sulfonyl-piperazine Formula: C23H28F2N2O4S2 MolecularWeight: 498.606226

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1=S(=O)=O)(CCCCCS(=O)(=O)C)C2=CC=CC=C2)C3=C(C=CC(=C3)F)F

Isomeric SMILES

CN1CCN(C(C1=S(=O)=O)(CCCCCS(=O)(=O)C)C2=CC=CC=C2)C3=C(C=CC(=C3)F)F

InChI

InChI=1S/C23H28F2N2O4S2/c1-26-14-15-27(21-17-19(24)11-12-20(21)25)23(22(26)32(28)29,18-9-5-3-6-10-18)13-7-4-8-16-33(2,30)31/h3,5-6,9-12,17H,4,7-8,13-16H2,1-2H3