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

Systemtic Name: disodium 1-phenyl-3-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]amino]propane-1,3-disulfonate Openeye Name: disodium 1-phenyl-3-[4-(thiazol-2-ylsulfamoyl)anilino]propane-1,3-disulfonate CAS Name: disodium 1-phenyl-3-[4-(2-thiazolylsulfamoyl)anilino]propane-1,3-disulfonate IUPAC Name: disodium 1-phenyl-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]propane-1,3-disulfonate Traditional Name: disodium 1-phenyl-3-[4-(thiazol-2-ylsulfamoyl)anilino]propane-1,3-disulfonate Formula: C18H17N3Na2O8S4 MolecularWeight: 577.58242

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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=CS3)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=CS3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C18H19N3O8S4.2Na/c22-31(23,21-18-19-10-11-30-18)15-8-6-14(7-9-15)20-17(33(27,28)29)12-16(32(24,25)26)13-4-2-1-3-5-13;;/h1-11,16-17,20H,12H2,(H,19,21)(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2