3,3,3-tris(fluoranyl)-2-methyl-1-[2-methyl-4-(2-nitrophenyl)sulfonyl-piperazin-1-yl]-2-oxidanyl-propan-1-one

Systemtic Name: 3,3,3-tris(fluoranyl)-2-methyl-1-[2-methyl-4-(2-nitrophenyl)sulfonyl-piperazin-1-yl]-2-oxidanyl-propan-1-one Openeye Name: 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[2-methyl-4-(2-nitrophenyl)sulfonyl-piperazin-1-yl]propan-1-one CAS Name: 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[2-methyl-4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[2-methyl-4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[2-methyl-4-(2-nitrophenyl)sulfonyl-piperazino]propan-1-one Formula: C15H18F3N3O6S MolecularWeight: 425.38013

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C(C)(C(F)(F)F)O)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1CN(CCN1C(=O)C(C)(C(F)(F)F)O)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C15H18F3N3O6S/c1-10-9-19(7-8-20(10)13(22)14(2,23)15(16,17)18)28(26,27)12-6-4-3-5-11(12)21(24)25/h3-6,10,23H,7-9H2,1-2H3