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

Systemtic Name: 4-ethyl-3-[2-oxidanylidene-2-(propylamino)ethyl]sulfonyl-benzoic acid Openeye Name: 4-ethyl-3-[2-oxo-2-(propylamino)ethyl]sulfonyl-benzoic acid CAS Name: 4-ethyl-3-[2-oxo-2-(propylamino)ethyl]sulfonylbenzoic acid IUPAC Name: 4-ethyl-3-[2-oxo-2-(propylamino)ethyl]sulfonylbenzoic acid Traditional Name: 4-ethyl-3-[2-keto-2-(propylamino)ethyl]sulfonyl-benzoic acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO5S/c1-3-7-15-13(16)9-21(19,20)12-8-11(14(17)18)6-5-10(12)4-2/h5-6,8H,3-4,7,9H2,1-2H3,(H,15,16)(H,17,18)