2-chloranyl-5-[2-[ethyl(methyl)amino]-2-oxidanylidene-ethyl]sulfonyl-benzoic acid

Systemtic Name: 2-chloranyl-5-[2-[ethyl(methyl)amino]-2-oxidanylidene-ethyl]sulfonyl-benzoic acid Openeye Name: 2-chloro-5-[2-[ethyl(methyl)amino]-2-oxo-ethyl]sulfonyl-benzoic acid CAS Name: 2-chloro-5-[2-[ethyl(methyl)amino]-2-oxoethyl]sulfonylbenzoic acid IUPAC Name: 2-chloro-5-[2-[ethyl(methyl)amino]-2-oxoethyl]sulfonylbenzoic acid Traditional Name: 2-chloro-5-[2-[ethyl(methyl)amino]-2-keto-ethyl]sulfonyl-benzoic acid Formula: C12H14ClNO5S MolecularWeight: 319.76126

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C)C(=O)CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)O

Isomeric SMILES

CCN(C)C(=O)CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)O

InChI

InChI=1S/C12H14ClNO5S/c1-3-14(2)11(15)7-20(18,19)8-4-5-10(13)9(6-8)12(16)17/h4-6H,3,7H2,1-2H3,(H,16,17)