2-(furan-2-ylmethylamino)-4-methyl-5-sulfamoyl-benzenesulfonate

Systemtic Name: 2-(furan-2-ylmethylamino)-4-methyl-5-sulfamoyl-benzenesulfonate Openeye Name: 2-(2-furylmethylamino)-4-methyl-5-sulfamoyl-benzenesulfonate CAS Name: 2-(2-furanylmethylamino)-4-methyl-5-sulfamoylbenzenesulfonate IUPAC Name: 2-(furan-2-ylmethylamino)-4-methyl-5-sulfamoylbenzenesulfonate Traditional Name: 2-(2-furfurylamino)-4-methyl-5-sulfamoyl-besylate Formula: C12H13N2O6S2- MolecularWeight: 345.37142

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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)/p-1