2-(2-bromanyl-4-methyl-phenoxy)-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(2-bromanyl-4-methyl-phenoxy)-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-bromo-4-methyl-phenoxy)propan-1-one CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-(2-bromo-4-methylphenoxy)-1-propanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-bromo-4-methylphenoxy)propan-1-one Traditional Name: 1-(4-besylpiperazino)-2-(2-bromo-4-methyl-phenoxy)propan-1-one Formula: C20H23BrN2O4S MolecularWeight: 467.37662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OC(C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)Br

InChI

InChI=1S/C20H23BrN2O4S/c1-15-8-9-19(18(21)14-15)27-16(2)20(24)22-10-12-23(13-11-22)28(25,26)17-6-4-3-5-7-17/h3-9,14,16H,10-13H2,1-2H3