[4-(3-methoxy-4-methyl-phenyl)carbonylpiperazin-1-yl]-[4-(trifluoromethylsulfonyl)phenyl]methanone

Systemtic Name: [4-(3-methoxy-4-methyl-phenyl)carbonylpiperazin-1-yl]-[4-(trifluoromethylsulfonyl)phenyl]methanone Openeye Name: [4-(3-methoxy-4-methyl-benzoyl)piperazin-1-yl]-[4-(trifluoromethylsulfonyl)phenyl]methanone CAS Name: [4-[(3-methoxy-4-methylphenyl)-oxomethyl]-1-piperazinyl]-[4-(trifluoromethylsulfonyl)phenyl]methanone IUPAC Name: [4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]-[4-(trifluoromethylsulfonyl)phenyl]methanone Traditional Name: [4-(3-methoxy-4-methyl-benzoyl)piperazino]-(4-triflylphenyl)methanone Formula: C21H21F3N2O5S MolecularWeight: 470.46205

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21F3N2O5S/c1-14-3-4-16(13-18(14)31-2)20(28)26-11-9-25(10-12-26)19(27)15-5-7-17(8-6-15)32(29,30)21(22,23)24/h3-8,13H,9-12H2,1-2H3