2-hydroxyethylazanium; 4-oxidanylidene-4-[(4-sulfamoylphenyl)amino]butanoate

Systemtic Name: 2-hydroxyethylazanium; 4-oxidanylidene-4-[(4-sulfamoylphenyl)amino]butanoate Openeye Name: 2-hydroxyethylammonium; 4-oxo-4-(4-sulfamoylanilino)butanoate CAS Name: 2-hydroxyethylammonium; 4-oxo-4-(4-sulfamoylanilino)butanoate IUPAC Name: 2-hydroxyethylazanium; 4-oxo-4-(4-sulfamoylanilino)butanoate Traditional Name: 2-hydroxyethylammonium; 4-keto-4-(4-sulfamoylanilino)butyrate Formula: C12H19N3O6S MolecularWeight: 333.36076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CCC(=O)[O-])S(=O)(=O)N.C(CO)[NH3+]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CCC(=O)[O-])S(=O)(=O)N.C(CO)[NH3+]

InChI

InChI=1S/C10H12N2O5S.C2H7NO/c11-18(16,17)8-3-1-7(2-4-8)12-9(13)5-6-10(14)15;3-1-2-4/h1-4H,5-6H2,(H,12,13)(H,14,15)(H2,11,16,17);4H,1-3H2