[(2R)-1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [(1R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl] 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]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] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid [(1R)-2-(4-besylpiperazino)-2-keto-1-methyl-ethyl] ester Formula: C23H28N2O5S2 MolecularWeight: 476.60882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OC(C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)O[C@H](C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H28N2O5S2/c1-18-8-10-20(11-9-18)31-17-12-22(26)30-19(2)23(27)24-13-15-25(16-14-24)32(28,29)21-6-4-3-5-7-21/h3-11,19H,12-17H2,1-2H3/t19-/m1/s1