[(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-(4-methoxyphenyl)sulfanylethanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-(4-methoxyphenyl)sulfanylethanoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(4-methoxyphenyl)sulfanylacetate CAS Name: 2-[(4-methoxyphenyl)thio]acetic acid [(2R)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-(4-methoxyphenyl)sulfanylacetate Traditional Name: 2-[(4-methoxyphenyl)thio]acetic acid [(1R)-2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)CSC3=CC=C(C=C3)OC

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)CSC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H26N2O4S/c1-17(28-21(25)16-29-20-10-8-19(27-2)9-11-20)22(26)24-14-12-23(13-15-24)18-6-4-3-5-7-18/h3-11,17H,12-16H2,1-2H3/t17-/m1/s1