5-chloranyl-2-methoxy-3-[1-(methylamino)-1-oxidanylidene-propan-2-yl]sulfonyl-benzoic acid

Systemtic Name: 5-chloranyl-2-methoxy-3-[1-(methylamino)-1-oxidanylidene-propan-2-yl]sulfonyl-benzoic acid Openeye Name: 5-chloro-2-methoxy-3-[1-methyl-2-(methylamino)-2-oxo-ethyl]sulfonyl-benzoic acid CAS Name: 5-chloro-2-methoxy-3-[1-(methylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid IUPAC Name: 5-chloro-2-methoxy-3-[1-(methylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid Traditional Name: 5-chloro-3-[2-keto-1-methyl-2-(methylamino)ethyl]sulfonyl-2-methoxy-benzoic acid Formula: C12H14ClNO6S MolecularWeight: 335.76066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC)S(=O)(=O)C1=C(C(=CC(=C1)Cl)C(=O)O)OC

Isomeric SMILES

CC(C(=O)NC)S(=O)(=O)C1=C(C(=CC(=C1)Cl)C(=O)O)OC

InChI

InChI=1S/C12H14ClNO6S/c1-6(11(15)14-2)21(18,19)9-5-7(13)4-8(12(16)17)10(9)20-3/h4-6H,1-3H3,(H,14,15)(H,16,17)