3-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfonyl-4-methyl-benzoic acid

Systemtic Name: 3-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfonyl-4-methyl-benzoic acid Openeye Name: 3-[2-(diethylamino)-2-oxo-ethyl]sulfonyl-4-methyl-benzoic acid CAS Name: 3-[2-(diethylamino)-2-oxoethyl]sulfonyl-4-methylbenzoic acid IUPAC Name: 3-[2-(diethylamino)-2-oxoethyl]sulfonyl-4-methylbenzoic acid Traditional Name: 3-[2-(diethylamino)-2-keto-ethyl]sulfonyl-4-methyl-benzoic acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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