methyl 5-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methylsulfamoyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methylsulfamoyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methylsulfamoyl]furan-2-carboxylate CAS Name: 5-[[4-(4-methyl-1-piperazin-4-iumyl)phenyl]methylsulfamoyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methylsulfamoyl]furan-2-carboxylate Traditional Name: 5-[[4-(4-methylpiperazin-4-ium-1-yl)benzyl]sulfamoyl]furan-2-carboxylic acid methyl ester Formula: C18H24N3O5S+ MolecularWeight: 394.46526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC=C(O3)C(=O)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)CNS(=O)(=O)C3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C18H23N3O5S/c1-20-9-11-21(12-10-20)15-5-3-14(4-6-15)13-19-27(23,24)17-8-7-16(26-17)18(22)25-2/h3-8,19H,9-13H2,1-2H3/p+1