diethyl(2-hydroxyethyl)azanium; 4-oxidanylidene-4-[(4-sulfamoylphenyl)amino]butanoate

Systemtic Name: diethyl(2-hydroxyethyl)azanium; 4-oxidanylidene-4-[(4-sulfamoylphenyl)amino]butanoate Openeye Name: diethyl(2-hydroxyethyl)ammonium; 4-oxo-4-(4-sulfamoylanilino)butanoate CAS Name: diethyl(2-hydroxyethyl)ammonium; 4-oxo-4-(4-sulfamoylanilino)butanoate IUPAC Name: diethyl(2-hydroxyethyl)azanium; 4-oxo-4-(4-sulfamoylanilino)butanoate Traditional Name: diethyl(2-hydroxyethyl)ammonium; 4-keto-4-(4-sulfamoylanilino)butyrate Formula: C16H27N3O6S MolecularWeight: 389.46708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N2O5S.C6H15NO/c11-18(16,17)8-3-1-7(2-4-8)12-9(13)5-6-10(14)15;1-3-7(4-2)5-6-8/h1-4H,5-6H2,(H,12,13)(H,14,15)(H2,11,16,17);8H,3-6H2,1-2H3