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

Systemtic Name: 3-[2-[ethyl(methyl)amino]-2-oxidanylidene-ethyl]sulfonyl-4-methyl-benzoic acid Openeye Name: 3-[2-[ethyl(methyl)amino]-2-oxo-ethyl]sulfonyl-4-methyl-benzoic acid CAS Name: 3-[2-[ethyl(methyl)amino]-2-oxoethyl]sulfonyl-4-methylbenzoic acid IUPAC Name: 3-[2-[ethyl(methyl)amino]-2-oxoethyl]sulfonyl-4-methylbenzoic acid Traditional Name: 3-[2-[ethyl(methyl)amino]-2-keto-ethyl]sulfonyl-4-methyl-benzoic acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO5S/c1-4-14(3)12(15)8-20(18,19)11-7-10(13(16)17)6-5-9(11)2/h5-7H,4,8H2,1-3H3,(H,16,17)