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

Systemtic Name: 4-oxidanylidene-4-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]amino]butanoic acid hydrate Openeye Name: 4-oxo-4-[4-(thiazol-2-ylsulfamoyl)anilino]butanoic acid hydrate CAS Name: 4-oxo-4-[4-(2-thiazolylsulfamoyl)anilino]butanoic acid hydrate IUPAC Name: 4-oxo-4-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]butanoic acid hydrate Traditional Name: 4-keto-4-[4-(thiazol-2-ylsulfamoyl)anilino]butyric acid hydrate Formula: C13H15N3O6S2 MolecularWeight: 373.4047

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CCC(=O)O)S(=O)(=O)NC2=NC=CS2.O

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CCC(=O)O)S(=O)(=O)NC2=NC=CS2.O

InChI

InChI=1S/C13H13N3O5S2.H2O/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);1H2