2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-1-(4-tosylpiperazino)ethanone Formula: C20H22ClFN2O3S2 MolecularWeight: 456.981683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSCC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H22ClFN2O3S2/c1-15-5-7-16(8-6-15)29(26,27)24-11-9-23(10-12-24)20(25)14-28-13-17-18(21)3-2-4-19(17)22/h2-8H,9-14H2,1H3