disodium 1-phenyl-3-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]amino]propane-1,3-disulfonate

Systemtic Name: disodium 1-phenyl-3-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]amino]propane-1,3-disulfonate Openeye Name: disodium 1-phenyl-3-[4-(pyrimidin-2-ylsulfamoyl)anilino]propane-1,3-disulfonate CAS Name: disodium 1-phenyl-3-[4-(2-pyrimidinylsulfamoyl)anilino]propane-1,3-disulfonate IUPAC Name: disodium 1-phenyl-3-[4-(pyrimidin-2-ylsulfamoyl)anilino]propane-1,3-disulfonate Traditional Name: disodium 1-phenyl-3-[4-(2-pyrimidylsulfamoyl)anilino]propane-1,3-disulfonate Formula: C19H18N4Na2O8S3 MolecularWeight: 572.54276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C(CC(NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C19H20N4O8S3.2Na/c24-32(25,23-19-20-11-4-12-21-19)16-9-7-15(8-10-16)22-18(34(29,30)31)13-17(33(26,27)28)14-5-2-1-3-6-14;;/h1-12,17-18,22H,13H2,(H,20,21,23)(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2