2-(furan-2-ylmethylamino)-4-methyl-5-sulfamoyl-benzenesulfonic acid

Systemtic Name: 2-(furan-2-ylmethylamino)-4-methyl-5-sulfamoyl-benzenesulfonic acid Openeye Name: 2-(2-furylmethylamino)-4-methyl-5-sulfamoyl-benzenesulfonic acid CAS Name: 2-(2-furanylmethylamino)-4-methyl-5-sulfamoylbenzenesulfonic acid IUPAC Name: 2-(furan-2-ylmethylamino)-4-methyl-5-sulfamoylbenzenesulfonic acid Traditional Name: 2-(2-furfurylamino)-4-methyl-5-sulfamoyl-besylic acid Formula: C12H14N2O6S2 MolecularWeight: 346.37936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)N)S(=O)(=O)O)NCC2=CC=CO2

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)N)S(=O)(=O)O)NCC2=CC=CO2

InChI

InChI=1S/C12H14N2O6S2/c1-8-5-10(14-7-9-3-2-4-20-9)12(22(17,18)19)6-11(8)21(13,15)16/h2-6,14H,7H2,1H3,(H2,13,15,16)(H,17,18,19)