2-(3,5-dimethylphenoxy)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(3,5-dimethylphenoxy)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(3,5-dimethylphenoxy)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(3,5-dimethylphenoxy)-1-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(3,5-dimethylphenoxy)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(3,5-dimethylphenoxy)-1-[4-(4-fluorophenyl)sulfonylpiperazino]ethanone Formula: C20H23FN2O4S MolecularWeight: 406.471023

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN2O4S/c1-15-11-16(2)13-18(12-15)27-14-20(24)22-7-9-23(10-8-22)28(25,26)19-5-3-17(21)4-6-19/h3-6,11-13H,7-10,14H2,1-2H3