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

Systemtic Name: sodium 4-oxidanylidene-2-sulfo-4-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]amino]butanoic acid Openeye Name: sodium 4-oxo-2-sulfo-4-[4-(thiazol-2-ylsulfamoyl)anilino]butanoic acid CAS Name: sodium 4-oxo-2-sulfo-4-[4-(2-thiazolylsulfamoyl)anilino]butanoic acid IUPAC Name: sodium 4-oxo-2-sulfo-4-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]butanoic acid Traditional Name: sodium 4-keto-2-sulfo-4-[4-(thiazol-2-ylsulfamoyl)anilino]butyric acid Formula: C13H13N3NaO8S3+ MolecularWeight: 458.44239

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O8S3.Na/c17-11(7-10(12(18)19)27(22,23)24)15-8-1-3-9(4-2-8)26(20,21)16-13-14-5-6-25-13;/h1-6,10H,7H2,(H,14,16)(H,15,17)(H,18,19)(H,22,23,24);/q;+1