5-chloranyl-2-methoxy-3-[2-(methylamino)-2-oxidanylidene-ethyl]sulfonyl-benzoic acid

Systemtic Name: 5-chloranyl-2-methoxy-3-[2-(methylamino)-2-oxidanylidene-ethyl]sulfonyl-benzoic acid Openeye Name: 5-chloro-2-methoxy-3-[2-(methylamino)-2-oxo-ethyl]sulfonyl-benzoic acid CAS Name: 5-chloro-2-methoxy-3-[2-(methylamino)-2-oxoethyl]sulfonylbenzoic acid IUPAC Name: 5-chloro-2-methoxy-3-[2-(methylamino)-2-oxoethyl]sulfonylbenzoic acid Traditional Name: 5-chloro-3-[2-keto-2-(methylamino)ethyl]sulfonyl-2-methoxy-benzoic acid Formula: C11H12ClNO6S MolecularWeight: 321.73408

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CS(=O)(=O)C1=C(C(=CC(=C1)Cl)C(=O)O)OC

Isomeric SMILES

CNC(=O)CS(=O)(=O)C1=C(C(=CC(=C1)Cl)C(=O)O)OC

InChI

InChI=1S/C11H12ClNO6S/c1-13-9(14)5-20(17,18)8-4-6(12)3-7(11(15)16)10(8)19-2/h3-4H,5H2,1-2H3,(H,13,14)(H,15,16)