methyl 2-[[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate

Systemtic Name: methyl 2-[[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate Openeye Name: methyl 2-[[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate CAS Name: 2-[[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate Traditional Name: 2-[[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazino]methyl]furan-3-carboxylic acid methyl ester Formula: C18H19F3N2O5S MolecularWeight: 432.41407

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=C(OC=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C18H19F3N2O5S/c1-27-17(24)15-5-10-28-16(15)12-22-6-8-23(9-7-22)29(25,26)14-4-2-3-13(11-14)18(19,20)21/h2-5,10-11H,6-9,12H2,1H3