3-[5-[[2-(4-sulfamoylphenyl)ethylazaniumyl]methyl]furan-2-yl]benzoate

Systemtic Name: 3-[5-[[2-(4-sulfamoylphenyl)ethylazaniumyl]methyl]furan-2-yl]benzoate Openeye Name: 3-[5-[[2-(4-sulfamoylphenyl)ethylammonio]methyl]-2-furyl]benzoate CAS Name: 3-[5-[[2-(4-sulfamoylphenyl)ethylammonio]methyl]-2-furanyl]benzoate IUPAC Name: 3-[5-[[2-(4-sulfamoylphenyl)ethylazaniumyl]methyl]furan-2-yl]benzoate Traditional Name: 3-[5-[[2-(4-sulfamoylphenyl)ethylammonio]methyl]-2-furyl]benzoate Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)[O-])C2=CC=C(O2)C[NH2+]CCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)[O-])C2=CC=C(O2)C[NH2+]CCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C20H20N2O5S/c21-28(25,26)18-7-4-14(5-8-18)10-11-22-13-17-6-9-19(27-17)15-2-1-3-16(12-15)20(23)24/h1-9,12,22H,10-11,13H2,(H,23,24)(H2,21,25,26)