4-(3-bromanylphenoxy)-1-[4-(phenylsulfonyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(3-bromanylphenoxy)-1-[4-(phenylsulfonyl)piperazin-1-yl]butan-1-one Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-4-(3-bromophenoxy)butan-1-one CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-4-(3-bromophenoxy)-1-butanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-4-(3-bromophenoxy)butan-1-one Traditional Name: 1-(4-besylpiperazino)-4-(3-bromophenoxy)butan-1-one Formula: C20H23BrN2O4S MolecularWeight: 467.37662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2O4S/c21-17-6-4-7-18(16-17)27-15-5-10-20(24)22-11-13-23(14-12-22)28(25,26)19-8-2-1-3-9-19/h1-4,6-9,16H,5,10-15H2