[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] (E)-3-phenylprop-2-enoate

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] (E)-3-phenylprop-2-enoate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)COC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)COC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C16H20N2O5S/c1-24(21,22)18-11-9-17(10-12-18)15(19)13-23-16(20)8-7-14-5-3-2-4-6-14/h2-8H,9-13H2,1H3/b8-7+