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

Systemtic Name: 4-ethyl-3-[1-(methylamino)-1-oxidanylidene-propan-2-yl]sulfonyl-benzoic acid Openeye Name: 4-ethyl-3-[1-methyl-2-(methylamino)-2-oxo-ethyl]sulfonyl-benzoic acid CAS Name: 4-ethyl-3-[1-(methylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid IUPAC Name: 4-ethyl-3-[1-(methylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid Traditional Name: 4-ethyl-3-[2-keto-1-methyl-2-(methylamino)ethyl]sulfonyl-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)C(C)C(=O)NC

Isomeric SMILES

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

InChI

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