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

Systemtic Name: 5-chloranyl-3-[2-(ethylamino)-2-oxidanylidene-ethyl]sulfonyl-2-methoxy-benzoic acid Openeye Name: 5-chloro-3-[2-(ethylamino)-2-oxo-ethyl]sulfonyl-2-methoxy-benzoic acid CAS Name: 5-chloro-3-[2-(ethylamino)-2-oxoethyl]sulfonyl-2-methoxybenzoic acid IUPAC Name: 5-chloro-3-[2-(ethylamino)-2-oxoethyl]sulfonyl-2-methoxybenzoic acid Traditional Name: 5-chloro-3-[2-(ethylamino)-2-keto-ethyl]sulfonyl-2-methoxy-benzoic acid Formula: C12H14ClNO6S MolecularWeight: 335.76066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClNO6S/c1-3-14-10(15)6-21(18,19)9-5-7(13)4-8(12(16)17)11(9)20-2/h4-5H,3,6H2,1-2H3,(H,14,15)(H,16,17)