3-[2-(ethylamino)-2-oxidanylidene-ethyl]sulfonyl-4,5-dimethyl-benzoic acid

Systemtic Name: 3-[2-(ethylamino)-2-oxidanylidene-ethyl]sulfonyl-4,5-dimethyl-benzoic acid Openeye Name: 3-[2-(ethylamino)-2-oxo-ethyl]sulfonyl-4,5-dimethyl-benzoic acid CAS Name: 3-[2-(ethylamino)-2-oxoethyl]sulfonyl-4,5-dimethylbenzoic acid IUPAC Name: 3-[2-(ethylamino)-2-oxoethyl]sulfonyl-4,5-dimethylbenzoic acid Traditional Name: 3-[2-(ethylamino)-2-keto-ethyl]sulfonyl-4,5-dimethyl-benzoic acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CS(=O)(=O)C1=CC(=CC(=C1C)C)C(=O)O

Isomeric SMILES

CCNC(=O)CS(=O)(=O)C1=CC(=CC(=C1C)C)C(=O)O

InChI

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