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

Systemtic Name: [(2R)-1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl] 3-phenoxypropanoate Openeye Name: [(1R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl] 3-phenoxypropanoate CAS Name: 3-phenoxypropanoic 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-phenoxypropanoate Traditional Name: 3-phenoxypropionic acid [(1R)-2-(4-besylpiperazino)-2-keto-1-methyl-ethyl] ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)OC(=O)CCOC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)OC(=O)CCOC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O6S/c1-18(30-21(25)12-17-29-19-8-4-2-5-9-19)22(26)23-13-15-24(16-14-23)31(27,28)20-10-6-3-7-11-20/h2-11,18H,12-17H2,1H3/t18-/m1/s1