2-(4-bromanyl-2-fluoranyl-phenoxy)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(4-bromanyl-2-fluoranyl-phenoxy)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(4-bromo-2-fluoro-phenoxy)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(4-bromo-2-fluorophenoxy)-1-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(4-bromo-2-fluorophenoxy)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(4-bromo-2-fluoro-phenoxy)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazino]ethanone Formula: C20H22BrFN2O4S MolecularWeight: 485.367083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=C(C=C(C=C3)Br)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=C(C=C(C=C3)Br)F)C

InChI

InChI=1S/C20H22BrFN2O4S/c1-14-3-5-17(11-15(14)2)29(26,27)24-9-7-23(8-10-24)20(25)13-28-19-6-4-16(21)12-18(19)22/h3-6,11-12H,7-10,13H2,1-2H3