disodium 3-phenoxysulfonyl-1-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]amino]propane-1-sulfonate

Systemtic Name: disodium 3-phenoxysulfonyl-1-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]amino]propane-1-sulfonate Openeye Name: disodium 3-phenoxysulfonyl-1-[4-(pyrimidin-2-ylsulfamoyl)anilino]propane-1-sulfonate CAS Name: disodium 3-phenoxysulfonyl-1-[4-(2-pyrimidinylsulfamoyl)anilino]-1-propanesulfonate IUPAC Name: disodium 3-phenoxysulfonyl-1-[4-(pyrimidin-2-ylsulfamoyl)anilino]propane-1-sulfonate Traditional Name: disodium 3-phenoxysulfonyl-1-[4-(2-pyrimidylsulfamoyl)anilino]propane-1-sulfonate Formula: C19H19N4Na2O8S3+ MolecularWeight: 573.5507

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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