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

Systemtic Name: 5-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]sulfonyl-2-methyl-benzoic acid Openeye Name: 2-methyl-5-[2-oxo-2-(sec-butylamino)ethyl]sulfonyl-benzoic acid CAS Name: 5-[2-(butan-2-ylamino)-2-oxoethyl]sulfonyl-2-methylbenzoic acid IUPAC Name: 5-[2-(butan-2-ylamino)-2-oxoethyl]sulfonyl-2-methylbenzoic acid Traditional Name: 5-[2-keto-2-(sec-butylamino)ethyl]sulfonyl-2-methyl-benzoic acid Formula: C14H19NO5S MolecularWeight: 313.36936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CS(=O)(=O)C1=CC(=C(C=C1)C)C(=O)O

Isomeric SMILES

CCC(C)NC(=O)CS(=O)(=O)C1=CC(=C(C=C1)C)C(=O)O

InChI

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