5-[[2-(4-sulfamoylphenyl)ethylamino]methyl]furan-2-sulfonic acid

Systemtic Name: 5-[[2-(4-sulfamoylphenyl)ethylamino]methyl]furan-2-sulfonic acid Openeye Name: 5-[[2-(4-sulfamoylphenyl)ethylamino]methyl]furan-2-sulfonic acid CAS Name: 5-[[2-(4-sulfamoylphenyl)ethylamino]methyl]-2-furansulfonic acid IUPAC Name: 5-[[2-(4-sulfamoylphenyl)ethylamino]methyl]furan-2-sulfonic acid Traditional Name: 5-[[2-(4-sulfamoylphenyl)ethylamino]methyl]furan-2-sulfonic acid Formula: C13H16N2O6S2 MolecularWeight: 360.40594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNCC2=CC=C(O2)S(=O)(=O)O)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CCNCC2=CC=C(O2)S(=O)(=O)O)S(=O)(=O)N

InChI

InChI=1S/C13H16N2O6S2/c14-22(16,17)12-4-1-10(2-5-12)7-8-15-9-11-3-6-13(21-11)23(18,19)20/h1-6,15H,7-9H2,(H2,14,16,17)(H,18,19,20)