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

Systemtic Name: 3-[2-(ethylamino)-2-oxidanylidene-ethyl]sulfonyl-4-methyl-benzoic acid Openeye Name: 3-[2-(ethylamino)-2-oxo-ethyl]sulfonyl-4-methyl-benzoic acid CAS Name: 3-[2-(ethylamino)-2-oxoethyl]sulfonyl-4-methylbenzoic acid IUPAC Name: 3-[2-(ethylamino)-2-oxoethyl]sulfonyl-4-methylbenzoic acid Traditional Name: 3-[2-(ethylamino)-2-keto-ethyl]sulfonyl-4-methyl-benzoic acid Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO5S/c1-3-13-11(14)7-19(17,18)10-6-9(12(15)16)5-4-8(10)2/h4-6H,3,7H2,1-2H3,(H,13,14)(H,15,16)