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

Systemtic Name: sodium 4-[(4-chlorophenyl)amino]-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzenesulfonate Openeye Name: sodium 4-(4-chloroanilino)-2-(2-furylmethylamino)-5-sulfamoyl-benzenesulfonate CAS Name: sodium 4-(4-chloroanilino)-2-(2-furanylmethylamino)-5-sulfamoylbenzenesulfonate IUPAC Name: sodium 4-(4-chloroanilino)-2-(furan-2-ylmethylamino)-5-sulfamoylbenzenesulfonate Traditional Name: sodium 4-(4-chloroanilino)-2-(2-furfurylamino)-5-sulfamoyl-besylate Formula: C17H15ClN3NaO6S2 MolecularWeight: 479.89027

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC2=C(C=C(C(=C2)NC3=CC=C(C=C3)Cl)S(=O)(=O)N)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=COC(=C1)CNC2=C(C=C(C(=C2)NC3=CC=C(C=C3)Cl)S(=O)(=O)N)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C17H16ClN3O6S2.Na/c18-11-3-5-12(6-4-11)21-15-8-14(20-10-13-2-1-7-27-13)17(29(24,25)26)9-16(15)28(19,22)23;/h1-9,20-21H,10H2,(H2,19,22,23)(H,24,25,26);/q;+1/p-1