2-(3,4-dimethoxyphenyl)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(3,4-dimethoxyphenyl)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(3,4-dimethoxyphenyl)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(3,4-dimethoxyphenyl)-1-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(3,4-dimethoxyphenyl)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(3,4-dimethoxyphenyl)-1-[4-(4-fluorophenyl)sulfonylpiperazino]ethanone Formula: C20H23FN2O5S MolecularWeight: 422.470423

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN2O5S/c1-27-18-8-3-15(13-19(18)28-2)14-20(24)22-9-11-23(12-10-22)29(25,26)17-6-4-16(21)5-7-17/h3-8,13H,9-12,14H2,1-2H3