2-methyl-5-[2-oxidanylidene-2-(propylamino)ethyl]sulfonyl-benzoic acid

Systemtic Name: 2-methyl-5-[2-oxidanylidene-2-(propylamino)ethyl]sulfonyl-benzoic acid Openeye Name: 2-methyl-5-[2-oxo-2-(propylamino)ethyl]sulfonyl-benzoic acid CAS Name: 2-methyl-5-[2-oxo-2-(propylamino)ethyl]sulfonylbenzoic acid IUPAC Name: 2-methyl-5-[2-oxo-2-(propylamino)ethyl]sulfonylbenzoic acid Traditional Name: 5-[2-keto-2-(propylamino)ethyl]sulfonyl-2-methyl-benzoic acid Formula: C13H17NO5S MolecularWeight: 299.34278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO5S/c1-3-6-14-12(15)8-20(18,19)10-5-4-9(2)11(7-10)13(16)17/h4-5,7H,3,6,8H2,1-2H3,(H,14,15)(H,16,17)