2-[(4-methylphenyl)methylsulfanyl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(p-tolylmethylsulfanyl)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-methylphenyl)methylthio]-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[(4-methylbenzyl)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)CSCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

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

InChI

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