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

Systemtic Name: 1-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone Openeye Name: 1-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone CAS Name: 1-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-2-(3,4-dimethoxyphenyl)ethanone IUPAC Name: 1-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone Traditional Name: 1-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]-2-(3,4-dimethoxyphenyl)ethanone Formula: C20H22ClFN2O5S MolecularWeight: 456.915483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl)OC

InChI

InChI=1S/C20H22ClFN2O5S/c1-28-18-6-3-14(11-19(18)29-2)12-20(25)23-7-9-24(10-8-23)30(26,27)15-4-5-17(22)16(21)13-15/h3-6,11,13H,7-10,12H2,1-2H3