sodium 4-oxidanylidene-4-[(4-sulfamoylphenyl)amino]butanoate hydrate

Systemtic Name: sodium 4-oxidanylidene-4-[(4-sulfamoylphenyl)amino]butanoate hydrate Openeye Name: sodium 4-oxo-4-(4-sulfamoylanilino)butanoate hydrate CAS Name: sodium 4-oxo-4-(4-sulfamoylanilino)butanoate hydrate IUPAC Name: sodium 4-oxo-4-(4-sulfamoylanilino)butanoate hydrate Traditional Name: sodium 4-keto-4-(4-sulfamoylanilino)butyrate hydrate Formula: C10H13N2NaO6S MolecularWeight: 312.27479

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CCC(=O)[O-])S(=O)(=O)N.O.[Na+]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CCC(=O)[O-])S(=O)(=O)N.O.[Na+]

InChI

InChI=1S/C10H12N2O5S.Na.H2O/c11-18(16,17)8-3-1-7(2-4-8)12-9(13)5-6-10(14)15;;/h1-4H,5-6H2,(H,12,13)(H,14,15)(H2,11,16,17);;1H2/q;+1;/p-1