3-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfonylbenzoic acid

Systemtic Name: 3-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfonylbenzoic acid Openeye Name: 3-[2-(diethylamino)-2-oxo-ethyl]sulfonylbenzoic acid CAS Name: 3-[2-(diethylamino)-2-oxoethyl]sulfonylbenzoic acid IUPAC Name: 3-[2-(diethylamino)-2-oxoethyl]sulfonylbenzoic acid Traditional Name: 3-[2-(diethylamino)-2-keto-ethyl]sulfonylbenzoic acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CS(=O)(=O)C1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CCN(CC)C(=O)CS(=O)(=O)C1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C13H17NO5S/c1-3-14(4-2)12(15)9-20(18,19)11-7-5-6-10(8-11)13(16)17/h5-8H,3-4,9H2,1-2H3,(H,16,17)