6-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-methylsulfonyl-5-phenyl-piperazin-2-one

Systemtic Name: 6-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-methylsulfonyl-5-phenyl-piperazin-2-one Openeye Name: 6-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-methylsulfonyl-5-phenyl-piperazin-2-one CAS Name: 6-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-methylsulfonyl-5-phenyl-2-piperazinone IUPAC Name: 6-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-methylsulfonyl-5-phenylpiperazin-2-one Traditional Name: 6-[[3,5-bis(trifluoromethyl)benzyl]oxymethyl]-4-mesyl-5-phenyl-piperazin-2-one Formula: C21H20F6N2O4S MolecularWeight: 510.449919

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(=O)NC(C1C2=CC=CC=C2)COCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)N1CC(=O)NC(C1C2=CC=CC=C2)COCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H20F6N2O4S/c1-34(31,32)29-10-18(30)28-17(19(29)14-5-3-2-4-6-14)12-33-11-13-7-15(20(22,23)24)9-16(8-13)21(25,26)27/h2-9,17,19H,10-12H2,1H3,(H,28,30)