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

Systemtic Name: 4-ethyl-3-[2-(methylamino)-2-oxidanylidene-ethyl]sulfonyl-benzoic acid Openeye Name: 4-ethyl-3-[2-(methylamino)-2-oxo-ethyl]sulfonyl-benzoic acid CAS Name: 4-ethyl-3-[2-(methylamino)-2-oxoethyl]sulfonylbenzoic acid IUPAC Name: 4-ethyl-3-[2-(methylamino)-2-oxoethyl]sulfonylbenzoic acid Traditional Name: 4-ethyl-3-[2-keto-2-(methylamino)ethyl]sulfonyl-benzoic acid Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO5S/c1-3-8-4-5-9(12(15)16)6-10(8)19(17,18)7-11(14)13-2/h4-6H,3,7H2,1-2H3,(H,13,14)(H,15,16)