2-(3-bromanylphenoxy)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC(=CC=C3)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC(=CC=C3)Br)C

InChI

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