3-[1-(dimethylamino)-1-oxidanylidene-propan-2-yl]sulfonyl-4-ethyl-benzoic acid

Systemtic Name: 3-[1-(dimethylamino)-1-oxidanylidene-propan-2-yl]sulfonyl-4-ethyl-benzoic acid Openeye Name: 3-[2-(dimethylamino)-1-methyl-2-oxo-ethyl]sulfonyl-4-ethyl-benzoic acid CAS Name: 3-[1-(dimethylamino)-1-oxopropan-2-yl]sulfonyl-4-ethylbenzoic acid IUPAC Name: 3-[1-(dimethylamino)-1-oxopropan-2-yl]sulfonyl-4-ethylbenzoic acid Traditional Name: 3-[2-(dimethylamino)-2-keto-1-methyl-ethyl]sulfonyl-4-ethyl-benzoic acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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