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

Systemtic Name: 1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone Openeye Name: 1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone CAS Name: 1-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-2-(3,4-dimethoxyphenyl)ethanone IUPAC Name: 1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone Traditional Name: 1-(4-brosylpiperazino)-2-(3,4-dimethoxyphenyl)ethanone Formula: C20H23BrN2O5S MolecularWeight: 483.37602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C20H23BrN2O5S/c1-27-18-8-3-15(13-19(18)28-2)14-20(24)22-9-11-23(12-10-22)29(25,26)17-6-4-16(21)5-7-17/h3-8,13H,9-12,14H2,1-2H3