1-(4-methylsulfonylpiperazin-1-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butane-1,4-dione

Systemtic Name: 1-(4-methylsulfonylpiperazin-1-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butane-1,4-dione Openeye Name: 1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-4-(4-methylsulfonylpiperazin-1-yl)butane-1,4-dione CAS Name: 1-(4-methylsulfonyl-1-piperazinyl)-4-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]butane-1,4-dione IUPAC Name: 1-(4-methylsulfonylpiperazin-1-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butane-1,4-dione Traditional Name: 1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-4-(4-mesylpiperazino)butane-1,4-dione Formula: C22H33N4O4S+ MolecularWeight: 449.58682

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)CCC(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)CCC(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H32N4O4S/c1-31(29,30)26-18-16-25(17-19-26)22(28)10-9-21(27)24-14-12-23(13-15-24)11-5-8-20-6-3-2-4-7-20/h2-8H,9-19H2,1H3/p+1/b8-5+