(2R)-2-(diethylsulfamoylazaniumyl)-3-(4-hydroxyphenyl)propanoate

Systemtic Name: (2R)-2-(diethylsulfamoylazaniumyl)-3-(4-hydroxyphenyl)propanoate Openeye Name: (2R)-2-(diethylsulfamoylammonio)-3-(4-hydroxyphenyl)propanoate CAS Name: (2R)-2-(diethylsulfamoylammonio)-3-(4-hydroxyphenyl)propanoate IUPAC Name: (2R)-2-(diethylsulfamoylazaniumyl)-3-(4-hydroxyphenyl)propanoate Traditional Name: (2R)-2-(diethylsulfamoylammonio)-3-(4-hydroxyphenyl)propionate Formula: C13H20N2O5S MolecularWeight: 316.3733

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)[NH2+]C(CC1=CC=C(C=C1)O)C(=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)[NH2+][C@H](CC1=CC=C(C=C1)O)C(=O)[O-]

InChI

InChI=1S/C13H20N2O5S/c1-3-15(4-2)21(19,20)14-12(13(17)18)9-10-5-7-11(16)8-6-10/h5-8,12,14,16H,3-4,9H2,1-2H3,(H,17,18)/t12-/m1/s1