1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(phenylmethylsulfanyl)propan-1-one

Systemtic Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(phenylmethylsulfanyl)propan-1-one Openeye Name: 2-benzylsulfanyl-1-[4-(p-tolylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-(phenylmethylthio)-1-propanone IUPAC Name: 2-benzylsulfanyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 2-(benzylthio)-1-(4-tosylpiperazino)propan-1-one 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)C(C)SCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C(C)SCC3=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)18(2)27-16-19-6-4-3-5-7-19/h3-11,18H,12-16H2,1-2H3