1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-(3,5-dimethylphenoxy)ethanone

Systemtic Name: 1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-(3,5-dimethylphenoxy)ethanone Openeye Name: 1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-(3,5-dimethylphenoxy)ethanone CAS Name: 1-[4-(3-bromophenyl)sulfonyl-1-piperazinyl]-2-(3,5-dimethylphenoxy)ethanone IUPAC Name: 1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-(3,5-dimethylphenoxy)ethanone Traditional Name: 1-[4-(3-bromophenyl)sulfonylpiperazino]-2-(3,5-dimethylphenoxy)ethanone Formula: C20H23BrN2O4S MolecularWeight: 467.37662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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