methyl 3-[4-[4-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 3-[4-[4-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 3-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-[oxo-[4-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-[4-(trifluoromethyl)benzoyl]piperazino]sulfonylbenzoic acid methyl ester Formula: C20H19F3N2O5S MolecularWeight: 456.43547

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19F3N2O5S/c1-30-19(27)15-3-2-4-17(13-15)31(28,29)25-11-9-24(10-12-25)18(26)14-5-7-16(8-6-14)20(21,22)23/h2-8,13H,9-12H2,1H3