2-[[4-(diethylamino)-3-(phenylsulfonyl)butyl]amino]oxy-2-oxidanylidene-ethanoate hydrate

Systemtic Name: 2-[[4-(diethylamino)-3-(phenylsulfonyl)butyl]amino]oxy-2-oxidanylidene-ethanoate hydrate Openeye Name: 2-[[3-(benzenesulfonyl)-4-(diethylamino)butyl]amino]oxy-2-oxo-acetate hydrate CAS Name: 2-[[3-(benzenesulfonyl)-4-(diethylamino)butyl]amino]oxy-2-oxoacetate hydrate IUPAC Name: 2-[[3-(benzenesulfonyl)-4-(diethylamino)butyl]amino]oxy-2-oxoacetate hydrate Traditional Name: 2-[[3-besyl-4-(diethylamino)butyl]amino]oxy-2-keto-acetate hydrate Formula: C16H25N2O7S- MolecularWeight: 389.4439

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(CCNOC(=O)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1.O

Isomeric SMILES

CCN(CC)CC(CCNOC(=O)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1.O

InChI

InChI=1S/C16H24N2O6S.H2O/c1-3-18(4-2)12-14(10-11-17-24-16(21)15(19)20)25(22,23)13-8-6-5-7-9-13;/h5-9,14,17H,3-4,10-12H2,1-2H3,(H,19,20);1H2/p-1