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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC(=O)NCC

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC(=O)NCC

InChI

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