[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] (2R)-2-phenyl-2-phenylsulfanyl-ethanoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] (2R)-2-phenyl-2-phenylsulfanyl-ethanoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (2R)-2-phenyl-2-phenylsulfanyl-acetate CAS Name: (2R)-2-phenyl-2-(phenylthio)acetic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (2R)-2-phenyl-2-phenylsulfanylacetate Traditional Name: (2R)-2-phenyl-2-(phenylthio)acetic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C26H26N2O3S MolecularWeight: 446.56124

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)[C@@H](C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C26H26N2O3S/c29-24(28-18-16-27(17-19-28)22-12-6-2-7-13-22)20-31-26(30)25(21-10-4-1-5-11-21)32-23-14-8-3-9-15-23/h1-15,25H,16-20H2/t25-/m1/s1