sodium 4-[ethyl(phenyl)amino]-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzenesulfonate

Systemtic Name: sodium 4-[ethyl(phenyl)amino]-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzenesulfonate Openeye Name: sodium 4-(N-ethylanilino)-2-(2-furylmethylamino)-5-sulfamoyl-benzenesulfonate CAS Name: sodium 4-(N-ethylanilino)-2-(2-furanylmethylamino)-5-sulfamoylbenzenesulfonate IUPAC Name: sodium 4-(N-ethylanilino)-2-(furan-2-ylmethylamino)-5-sulfamoylbenzenesulfonate Traditional Name: sodium 4-(N-ethylanilino)-2-(2-furfurylamino)-5-sulfamoyl-besylate Formula: C19H20N3NaO6S2 MolecularWeight: 473.49837

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C2=C(C=C(C(=C2)NCC3=CC=CO3)S(=O)(=O)[O-])S(=O)(=O)N.[Na+]

Isomeric SMILES

CCN(C1=CC=CC=C1)C2=C(C=C(C(=C2)NCC3=CC=CO3)S(=O)(=O)[O-])S(=O)(=O)N.[Na+]

InChI

InChI=1S/C19H21N3O6S2.Na/c1-2-22(14-7-4-3-5-8-14)17-11-16(21-13-15-9-6-10-28-15)18(30(25,26)27)12-19(17)29(20,23)24;/h3-12,21H,2,13H2,1H3,(H2,20,23,24)(H,25,26,27);/q;+1/p-1