[(2R)-1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl] (2S)-2-phenylsulfanylpropanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl] (2S)-2-phenylsulfanylpropanoate Openeye Name: [(1R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl] (2S)-2-phenylsulfanylpropanoate CAS Name: (2S)-2-(phenylthio)propanoic 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] (2S)-2-phenylsulfanylpropanoate Traditional Name: (2S)-2-(phenylthio)propionic acid [(1R)-2-(4-besylpiperazino)-2-keto-1-methyl-ethyl] ester Formula: C22H26N2O5S2 MolecularWeight: 462.58224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)OC(=O)C(C)SC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)OC(=O)[C@H](C)SC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O5S2/c1-17(29-22(26)18(2)30-19-9-5-3-6-10-19)21(25)23-13-15-24(16-14-23)31(27,28)20-11-7-4-8-12-20/h3-12,17-18H,13-16H2,1-2H3/t17-,18+/m1/s1