2-(furan-2-ylmethylamino)-4-phenoxy-5-sulfamoyl-benzenesulfonate; [2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]azanium

Systemtic Name: 2-(furan-2-ylmethylamino)-4-phenoxy-5-sulfamoyl-benzenesulfonate; [2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]azanium Openeye Name: 2-(2-furylmethylamino)-4-phenoxy-5-sulfamoyl-benzenesulfonate; [2-hydroxy-1,1-bis(hydroxymethyl)ethyl]ammonium CAS Name: [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]ammonium; 2-(2-furanylmethylamino)-4-phenoxy-5-sulfamoylbenzenesulfonate IUPAC Name: [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]azanium; 2-(furan-2-ylmethylamino)-4-phenoxy-5-sulfamoylbenzenesulfonate Traditional Name: 2-(2-furfurylamino)-4-phenoxy-5-sulfamoyl-besylate; (2-hydroxy-1,1-dimethylol-ethyl)ammonium Formula: C21H27N3O10S2 MolecularWeight: 545.58318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C(C=C(C(=C2)NCC3=CC=CO3)S(=O)(=O)[O-])S(=O)(=O)N.C(C(CO)(CO)[NH3+])O

Isomeric SMILES

C1=CC=C(C=C1)OC2=C(C=C(C(=C2)NCC3=CC=CO3)S(=O)(=O)[O-])S(=O)(=O)N.C(C(CO)(CO)[NH3+])O

InChI

InChI=1S/C17H16N2O7S2.C4H11NO3/c18-27(20,21)17-10-16(28(22,23)24)14(19-11-13-7-4-8-25-13)9-15(17)26-12-5-2-1-3-6-12;5-4(1-6,2-7)3-8/h1-10,19H,11H2,(H2,18,20,21)(H,22,23,24);6-8H,1-3,5H2