2-[2-oxidanylidene-2-(propylamino)ethyl]sulfonylbenzoic acid

Systemtic Name: 2-[2-oxidanylidene-2-(propylamino)ethyl]sulfonylbenzoic acid Openeye Name: 2-[2-oxo-2-(propylamino)ethyl]sulfonylbenzoic acid CAS Name: 2-[2-oxo-2-(propylamino)ethyl]sulfonylbenzoic acid IUPAC Name: 2-[2-oxo-2-(propylamino)ethyl]sulfonylbenzoic acid Traditional Name: 2-[2-keto-2-(propylamino)ethyl]sulfonylbenzoic acid Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CS(=O)(=O)C1=CC=CC=C1C(=O)O

Isomeric SMILES

CCCNC(=O)CS(=O)(=O)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C12H15NO5S/c1-2-7-13-11(14)8-19(17,18)10-6-4-3-5-9(10)12(15)16/h3-6H,2,7-8H2,1H3,(H,13,14)(H,15,16)