methyl 5-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C18H22FN2O5S+ MolecularWeight: 397.441083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)OC

InChI

InChI=1S/C18H21FN2O5S/c1-13-17(18(22)25-2)11-15(26-13)12-20-7-9-21(10-8-20)27(23,24)16-5-3-14(19)4-6-16/h3-6,11H,7-10,12H2,1-2H3/p+1