3-[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]sulfonyl-4-methyl-benzoic acid

Systemtic Name: 3-[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]sulfonyl-4-methyl-benzoic acid Openeye Name: 3-[2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]sulfonyl-4-methyl-benzoic acid CAS Name: 3-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfonyl-4-methylbenzoic acid IUPAC Name: 3-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfonyl-4-methylbenzoic acid Traditional Name: 3-[2-(cyclopropylamino)-2-keto-1-methyl-ethyl]sulfonyl-4-methyl-benzoic acid Formula: C14H17NO5S MolecularWeight: 311.35348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)C(C)C(=O)NC2CC2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)C(C)C(=O)NC2CC2

InChI

InChI=1S/C14H17NO5S/c1-8-3-4-10(14(17)18)7-12(8)21(19,20)9(2)13(16)15-11-5-6-11/h3-4,7,9,11H,5-6H2,1-2H3,(H,15,16)(H,17,18)