4-chloranyl-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-benzoate

Systemtic Name: 4-chloranyl-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-benzoate Openeye Name: 4-chloro-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-benzoate CAS Name: 4-chloro-3-[[(2S,6S)-2,6-dimethyl-4-morpholinyl]sulfonyl]benzoate IUPAC Name: 4-chloro-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Traditional Name: 4-chloro-3-[(2S,6S)-2,6-dimethylmorpholino]sulfonyl-benzoate Formula: C13H15ClNO5S- MolecularWeight: 332.7799

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)[O-])Cl

Isomeric SMILES

C[C@H]1CN(C[C@@H](O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)[O-])Cl

InChI

InChI=1S/C13H16ClNO5S/c1-8-6-15(7-9(2)20-8)21(18,19)12-5-10(13(16)17)3-4-11(12)14/h3-5,8-9H,6-7H2,1-2H3,(H,16,17)/p-1/t8-,9-/m0/s1