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

Systemtic Name: 3-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfonyl-4-ethyl-benzoic acid Openeye Name: 3-[2-(dimethylamino)-2-oxo-ethyl]sulfonyl-4-ethyl-benzoic acid CAS Name: 3-[2-(dimethylamino)-2-oxoethyl]sulfonyl-4-ethylbenzoic acid IUPAC Name: 3-[2-(dimethylamino)-2-oxoethyl]sulfonyl-4-ethylbenzoic acid Traditional Name: 3-[2-(dimethylamino)-2-keto-ethyl]sulfonyl-4-ethyl-benzoic acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC(=O)N(C)C

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC(=O)N(C)C

InChI

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