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

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

Systemtic Name:disodium 3-phenoxysulfonyl-1-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]amino]propane-1-sulfonate
Openeye Name:disodium 3-phenoxysulfonyl-1-[4-(thiazol-2-ylsulfamoyl)anilino]propane-1-sulfonate
CAS Name:disodium 3-phenoxysulfonyl-1-[4-(2-thiazolylsulfamoyl)anilino]-1-propanesulfonate
IUPAC Name:disodium 3-phenoxysulfonyl-1-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]propane-1-sulfonate
Traditional Name:disodium 3-phenoxysulfonyl-1-[4-(thiazol-2-ylsulfamoyl)anilino]propane-1-sulfonate
Formula: C18H18N3Na2O8S4+
MolecularWeight: 578.59036
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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=CS3)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=CS3)S(=O)(=O)[O-].[Na+].[Na+]


InChI

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


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