methyl 3-methyl-5-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 3-methyl-5-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 3-methyl-5-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]furan-2-carboxylate CAS Name: 3-methyl-5-[[4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-methyl-5-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]furan-2-carboxylate Traditional Name: 3-methyl-5-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazino]methyl]furan-2-carboxylic acid methyl ester Formula: C19H21F3N2O5S MolecularWeight: 446.44065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)C(=O)OC

Isomeric SMILES

CC1=C(OC(=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C19H21F3N2O5S/c1-13-11-15(29-17(13)18(25)28-2)12-23-7-9-24(10-8-23)30(26,27)16-5-3-14(4-6-16)19(20,21)22/h3-6,11H,7-10,12H2,1-2H3