1-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-2-(3,5-dimethylphenoxy)ethanone

Systemtic Name: 1-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-2-(3,5-dimethylphenoxy)ethanone Openeye Name: 1-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]-2-(3,5-dimethylphenoxy)ethanone CAS Name: 1-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-2-(3,5-dimethylphenoxy)ethanone IUPAC Name: 1-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-(3,5-dimethylphenoxy)ethanone Traditional Name: 1-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]-2-(3,5-dimethylphenoxy)ethanone Formula: C20H22ClFN2O4S MolecularWeight: 440.916083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClFN2O4S/c1-14-9-15(2)11-16(10-14)28-13-20(25)23-5-7-24(8-6-23)29(26,27)17-3-4-19(22)18(21)12-17/h3-4,9-12H,5-8,13H2,1-2H3