sodium 2-(furan-2-ylmethylamino)-4-phenylazanyl-5-sulfamoyl-benzenesulfonate

Systemtic Name: sodium 2-(furan-2-ylmethylamino)-4-phenylazanyl-5-sulfamoyl-benzenesulfonate Openeye Name: sodium 4-anilino-2-(2-furylmethylamino)-5-sulfamoyl-benzenesulfonate CAS Name: sodium 4-anilino-2-(2-furanylmethylamino)-5-sulfamoylbenzenesulfonate IUPAC Name: sodium 4-anilino-2-(furan-2-ylmethylamino)-5-sulfamoylbenzenesulfonate Traditional Name: sodium 4-anilino-2-(2-furfurylamino)-5-sulfamoyl-besylate Formula: C17H16N3NaO6S2 MolecularWeight: 445.44521

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC(=C(C=C2S(=O)(=O)N)S(=O)(=O)[O-])NCC3=CC=CO3.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC(=C(C=C2S(=O)(=O)N)S(=O)(=O)[O-])NCC3=CC=CO3.[Na+]

InChI

InChI=1S/C17H17N3O6S2.Na/c18-27(21,22)16-10-17(28(23,24)25)14(19-11-13-7-4-8-26-13)9-15(16)20-12-5-2-1-3-6-12;/h1-10,19-20H,11H2,(H2,18,21,22)(H,23,24,25);/q;+1/p-1