methyl 5-nitro-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]benzoate

Systemtic Name: methyl 5-nitro-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]benzoate Openeye Name: methyl 5-nitro-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]benzoate CAS Name: 5-nitro-2-[4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 5-nitro-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]benzoate Traditional Name: 5-nitro-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazino]benzoic acid methyl ester Formula: C19H18F3N3O6S MolecularWeight: 473.42293

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H18F3N3O6S/c1-31-18(26)16-12-14(25(27)28)4-7-17(16)23-8-10-24(11-9-23)32(29,30)15-5-2-13(3-6-15)19(20,21)22/h2-7,12H,8-11H2,1H3