[(2R)-1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl] 3-(2-methylphenoxy)propanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl] 3-(2-methylphenoxy)propanoate Openeye Name: [(1R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl] 3-(2-methylphenoxy)propanoate CAS Name: 3-(2-methylphenoxy)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-(2-methylphenoxy)propanoate Traditional Name: 3-(2-methylphenoxy)propionic acid [(1R)-2-(4-besylpiperazino)-2-keto-1-methyl-ethyl] ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCC(=O)OC(C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1OCCC(=O)O[C@H](C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H28N2O6S/c1-18-8-6-7-11-21(18)30-17-12-22(26)31-19(2)23(27)24-13-15-25(16-14-24)32(28,29)20-9-4-3-5-10-20/h3-11,19H,12-17H2,1-2H3/t19-/m1/s1