sodium 4-oxidanylidene-4-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]amino]butanoic acid

Systemtic Name: sodium 4-oxidanylidene-4-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]amino]butanoic acid Openeye Name: sodium 4-oxo-4-[4-(thiazol-2-ylsulfamoyl)anilino]butanoic acid CAS Name: sodium 4-oxo-4-[4-(2-thiazolylsulfamoyl)anilino]butanoic acid IUPAC Name: sodium 4-oxo-4-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]butanoic acid Traditional Name: sodium 4-keto-4-[4-(thiazol-2-ylsulfamoyl)anilino]butyric acid Formula: C13H13N3NaO5S2+ MolecularWeight: 378.37919

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CCC(=O)O)S(=O)(=O)NC2=NC=CS2.[Na+]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CCC(=O)O)S(=O)(=O)NC2=NC=CS2.[Na+]

InChI

InChI=1S/C13H13N3O5S2.Na/c17-11(5-6-12(18)19)15-9-1-3-10(4-2-9)23(20,21)16-13-14-7-8-22-13;/h1-4,7-8H,5-6H2,(H,14,16)(H,15,17)(H,18,19);/q;+1