2,6-bis(chloranyl)-3-[1-(ethylamino)-1-oxidanylidene-propan-2-yl]sulfonyl-benzoic acid

Systemtic Name: 2,6-bis(chloranyl)-3-[1-(ethylamino)-1-oxidanylidene-propan-2-yl]sulfonyl-benzoic acid Openeye Name: 2,6-dichloro-3-[2-(ethylamino)-1-methyl-2-oxo-ethyl]sulfonyl-benzoic acid CAS Name: 2,6-dichloro-3-[1-(ethylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid IUPAC Name: 2,6-dichloro-3-[1-(ethylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid Traditional Name: 2,6-dichloro-3-[2-(ethylamino)-2-keto-1-methyl-ethyl]sulfonyl-benzoic acid Formula: C12H13Cl2NO5S MolecularWeight: 354.20632

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)S(=O)(=O)C1=C(C(=C(C=C1)Cl)C(=O)O)Cl

Isomeric SMILES

CCNC(=O)C(C)S(=O)(=O)C1=C(C(=C(C=C1)Cl)C(=O)O)Cl

InChI

InChI=1S/C12H13Cl2NO5S/c1-3-15-11(16)6(2)21(19,20)8-5-4-7(13)9(10(8)14)12(17)18/h4-6H,3H2,1-2H3,(H,15,16)(H,17,18)