2-[1-(diethylamino)-1-oxidanylidene-propan-2-yl]sulfonylbenzoic acid

Systemtic Name: 2-[1-(diethylamino)-1-oxidanylidene-propan-2-yl]sulfonylbenzoic acid Openeye Name: 2-[2-(diethylamino)-1-methyl-2-oxo-ethyl]sulfonylbenzoic acid CAS Name: 2-[1-(diethylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid IUPAC Name: 2-[1-(diethylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid Traditional Name: 2-[2-(diethylamino)-2-keto-1-methyl-ethyl]sulfonylbenzoic acid Formula: C14H19NO5S MolecularWeight: 313.36936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(C)S(=O)(=O)C1=CC=CC=C1C(=O)O

Isomeric SMILES

CCN(CC)C(=O)C(C)S(=O)(=O)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C14H19NO5S/c1-4-15(5-2)13(16)10(3)21(19,20)12-9-7-6-8-11(12)14(17)18/h6-10H,4-5H2,1-3H3,(H,17,18)