1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-[(1R)-1-phenylethyl]sulfanyl-ethanone

Systemtic Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-[(1R)-1-phenylethyl]sulfanyl-ethanone Openeye Name: 2-[(1R)-1-phenylethyl]sulfanyl-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-[[(1R)-1-phenylethyl]thio]ethanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-[(1R)-1-phenylethyl]sulfanylethanone Traditional Name: 2-[[(1R)-1-phenylethyl]thio]-1-(4-tosylpiperazino)ethanone Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S2/c1-17-8-10-20(11-9-17)28(25,26)23-14-12-22(13-15-23)21(24)16-27-18(2)19-6-4-3-5-7-19/h3-11,18H,12-16H2,1-2H3/t18-/m1/s1