2-(2-bromanyl-4-methyl-phenoxy)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(2-bromanyl-4-methyl-phenoxy)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(2-bromo-4-methyl-phenoxy)ethanone CAS Name: 2-(2-bromo-4-methylphenoxy)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(2-bromo-4-methylphenoxy)ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-(2-bromo-4-methyl-phenoxy)ethanone Formula: C20H23BrN2O4S MolecularWeight: 467.37662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)Br

InChI

InChI=1S/C20H23BrN2O4S/c1-16-7-8-19(18(21)13-16)27-14-20(24)22-9-11-23(12-10-22)28(25,26)15-17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3