2-(4-ethanoyl-2-fluoranyl-phenyl)sulfanyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(4-ethanoyl-2-fluoranyl-phenyl)sulfanyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(4-acetyl-2-fluoro-phenyl)sulfanyl-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-acetyl-2-fluorophenyl)thio]-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(4-acetyl-2-fluorophenyl)sulfanyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[(4-acetyl-2-fluoro-phenyl)thio]-1-(4-tosylpiperazino)ethanone Formula: C21H23FN2O4S2 MolecularWeight: 450.546723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=C(C=C(C=C3)C(=O)C)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=C(C=C(C=C3)C(=O)C)F

InChI

InChI=1S/C21H23FN2O4S2/c1-15-3-6-18(7-4-15)30(27,28)24-11-9-23(10-12-24)21(26)14-29-20-8-5-17(16(2)25)13-19(20)22/h3-8,13H,9-12,14H2,1-2H3