4-methyl-5-[(2S)-2-methylmorpholin-4-yl]sulfonyl-2-oxidanyl-benzoate

Systemtic Name: 4-methyl-5-[(2S)-2-methylmorpholin-4-yl]sulfonyl-2-oxidanyl-benzoate Openeye Name: 2-hydroxy-4-methyl-5-[(2S)-2-methylmorpholin-4-yl]sulfonyl-benzoate CAS Name: 2-hydroxy-4-methyl-5-[[(2S)-2-methyl-4-morpholinyl]sulfonyl]benzoate IUPAC Name: 2-hydroxy-4-methyl-5-[(2S)-2-methylmorpholin-4-yl]sulfonylbenzoate Traditional Name: 2-hydroxy-4-methyl-5-[(2S)-2-methylmorpholino]sulfonyl-benzoate Formula: C13H16NO6S- MolecularWeight: 314.33424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCO1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)[O-])O)C

Isomeric SMILES

C[C@H]1CN(CCO1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)[O-])O)C

InChI

InChI=1S/C13H17NO6S/c1-8-5-11(15)10(13(16)17)6-12(8)21(18,19)14-3-4-20-9(2)7-14/h5-6,9,15H,3-4,7H2,1-2H3,(H,16,17)/p-1/t9-/m0/s1