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

Systemtic Name: 2-(4-bromophenyl)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(4-bromophenyl)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(4-bromophenyl)-1-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(4-bromophenyl)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(4-bromophenyl)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazino]ethanone Formula: C20H23BrN2O3S MolecularWeight: 451.37722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2O3S/c1-15-3-4-16(2)19(13-15)27(25,26)23-11-9-22(10-12-23)20(24)14-17-5-7-18(21)8-6-17/h3-8,13H,9-12,14H2,1-2H3