1-phenyl-3-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]amino]propane-1,3-disulfonic acid

Systemtic Name: 1-phenyl-3-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]amino]propane-1,3-disulfonic acid Openeye Name: 1-phenyl-3-[4-(thiazol-2-ylsulfamoyl)anilino]propane-1,3-disulfonic acid CAS Name: 1-phenyl-3-[4-(2-thiazolylsulfamoyl)anilino]propane-1,3-disulfonic acid IUPAC Name: 1-phenyl-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]propane-1,3-disulfonic acid Traditional Name: 1-phenyl-3-[4-(thiazol-2-ylsulfamoyl)anilino]propane-1,3-disulfonic acid Formula: C18H19N3O8S4 MolecularWeight: 533.61876

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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

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

InChI

InChI=1S/C18H19N3O8S4/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)