[(2R)-1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl] (E)-pent-2-enoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl] (E)-pent-2-enoate Openeye Name: [(1R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl] (E)-pent-2-enoate CAS Name: (E)-2-pentenoic acid [(2R)-1-[4-(benzenesulfonyl)-1-piperazinyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl] (E)-pent-2-enoate Traditional Name: (E)-pent-2-enoic acid [(1R)-2-(4-besylpiperazino)-2-keto-1-methyl-ethyl] ester Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CC(=O)OC(C)C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC/C=C/C(=O)O[C@H](C)C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H24N2O5S/c1-3-4-10-17(21)25-15(2)18(22)19-11-13-20(14-12-19)26(23,24)16-8-6-5-7-9-16/h4-10,15H,3,11-14H2,1-2H3/b10-4+/t15-/m1/s1