[2-oxidanylidene-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl] (E)-pent-2-enoate

Systemtic Name: [2-oxidanylidene-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl] (E)-pent-2-enoate Openeye Name: [2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl] (E)-pent-2-enoate CAS Name: (E)-2-pentenoic acid [2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl] (E)-pent-2-enoate Traditional Name: (E)-pent-2-enoic acid [2-keto-2-(4-mesitylsulfonylpiperazino)ethyl] ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CC(=O)OCC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2C)C)C

Isomeric SMILES

CC/C=C/C(=O)OCC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2C)C)C

InChI

InChI=1S/C20H28N2O5S/c1-5-6-7-19(24)27-14-18(23)21-8-10-22(11-9-21)28(25,26)20-16(3)12-15(2)13-17(20)4/h6-7,12-13H,5,8-11,14H2,1-4H3/b7-6+