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

Systemtic Name: methyl 5-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[(4-tosylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylic acid methyl ester Formula: C18H23N2O5S+ MolecularWeight: 379.45062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(O3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C18H22N2O5S/c1-14-3-6-16(7-4-14)26(22,23)20-11-9-19(10-12-20)13-15-5-8-17(25-15)18(21)24-2/h3-8H,9-13H2,1-2H3/p+1