4-(3-bromanylphenoxy)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-(3-bromanylphenoxy)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(3-bromophenoxy)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one CAS Name: 4-(3-bromophenoxy)-1-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 4-(3-bromophenoxy)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 4-(3-bromophenoxy)-1-[4-(4-fluorophenyl)sulfonylpiperazino]butan-1-one Formula: C20H22BrFN2O4S MolecularWeight: 485.367083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCOC2=CC(=CC=C2)Br)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCN1C(=O)CCCOC2=CC(=CC=C2)Br)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H22BrFN2O4S/c21-16-3-1-4-18(15-16)28-14-2-5-20(25)23-10-12-24(13-11-23)29(26,27)19-8-6-17(22)7-9-19/h1,3-4,6-9,15H,2,5,10-14H2