[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2,4,5-trimethoxyphenyl)-2-propenoic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-asarylacrylic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C19H26N2O8S MolecularWeight: 442.48334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=CC(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1/C=C/C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C)OC)OC

InChI

InChI=1S/C19H26N2O8S/c1-26-15-12-17(28-3)16(27-2)11-14(15)5-6-19(23)29-13-18(22)20-7-9-21(10-8-20)30(4,24)25/h5-6,11-12H,7-10,13H2,1-4H3/b6-5+