2-(4-bromanylphenoxy)-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(4-bromanylphenoxy)-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-bromophenoxy)propan-1-one CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-(4-bromophenoxy)-1-propanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-bromophenoxy)propan-1-one Traditional Name: 1-(4-besylpiperazino)-2-(4-bromophenoxy)propan-1-one Formula: C19H21BrN2O4S MolecularWeight: 453.35004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)OC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H21BrN2O4S/c1-15(26-17-9-7-16(20)8-10-17)19(23)21-11-13-22(14-12-21)27(24,25)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3