1-[3-fluoranyl-4-[4-(5-methylsulfonyl-2-propan-2-ylsulfanyl-phenyl)carbonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[3-fluoranyl-4-[4-(5-methylsulfonyl-2-propan-2-ylsulfanyl-phenyl)carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[3-fluoro-4-[4-(2-isopropylsulfanyl-5-methylsulfonyl-benzoyl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[3-fluoro-4-[4-[[5-methylsulfonyl-2-(propan-2-ylthio)phenyl]-oxomethyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[3-fluoro-4-[4-(5-methylsulfonyl-2-propan-2-ylsulfanylbenzoyl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[3-fluoro-4-[4-[2-(isopropylthio)-5-mesyl-benzoyl]piperazino]phenyl]ethanone Formula: C23H27FN2O4S2 MolecularWeight: 478.599883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F

Isomeric SMILES

CC(C)SC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F

InChI

InChI=1S/C23H27FN2O4S2/c1-15(2)31-22-8-6-18(32(4,29)30)14-19(22)23(28)26-11-9-25(10-12-26)21-7-5-17(16(3)27)13-20(21)24/h5-8,13-15H,9-12H2,1-4H3