2,4-dimethyl-5-[2-oxidanylidene-2-(propylamino)ethyl]sulfonyl-benzoic acid

Systemtic Name: 2,4-dimethyl-5-[2-oxidanylidene-2-(propylamino)ethyl]sulfonyl-benzoic acid Openeye Name: 2,4-dimethyl-5-[2-oxo-2-(propylamino)ethyl]sulfonyl-benzoic acid CAS Name: 2,4-dimethyl-5-[2-oxo-2-(propylamino)ethyl]sulfonylbenzoic acid IUPAC Name: 2,4-dimethyl-5-[2-oxo-2-(propylamino)ethyl]sulfonylbenzoic acid Traditional Name: 5-[2-keto-2-(propylamino)ethyl]sulfonyl-2,4-dimethyl-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=C(C(=C1)C(=O)O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO5S/c1-4-5-15-13(16)8-21(19,20)12-7-11(14(17)18)9(2)6-10(12)3/h6-7H,4-5,8H2,1-3H3,(H,15,16)(H,17,18)