2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(4-ethoxyphenyl)ethanone

Systemtic Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(4-ethoxyphenyl)ethanone Openeye Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(4-ethoxyphenyl)ethanone CAS Name: 2-[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-1-(4-ethoxyphenyl)ethanone IUPAC Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(4-ethoxyphenyl)ethanone Traditional Name: 2-(4-brosylpiperazin-1-ium-1-yl)-1-p-phenetyl-ethanone Formula: C20H24BrN2O4S+ MolecularWeight: 468.38456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

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