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

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] (E)-3-(4-chlorophenyl)prop-2-enoate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] (E)-3-(4-chlorophenyl)prop-2-enoate CAS Name: (E)-3-(4-chlorophenyl)-2-propenoic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate Traditional Name: (E)-3-(4-chlorophenyl)acrylic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C16H19ClN2O5S MolecularWeight: 386.85046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN2O5S/c1-25(22,23)19-10-8-18(9-11-19)15(20)12-24-16(21)7-4-13-2-5-14(17)6-3-13/h2-7H,8-12H2,1H3/b7-4+