3-[(2,2-dimethylmorpholin-4-yl)sulfonylmethyl]benzoic acid

Systemtic Name: 3-[(2,2-dimethylmorpholin-4-yl)sulfonylmethyl]benzoic acid Openeye Name: 3-[(2,2-dimethylmorpholin-4-yl)sulfonylmethyl]benzoic acid CAS Name: 3-[(2,2-dimethyl-4-morpholinyl)sulfonylmethyl]benzoic acid IUPAC Name: 3-[(2,2-dimethylmorpholin-4-yl)sulfonylmethyl]benzoic acid Traditional Name: 3-[(2,2-dimethylmorpholino)sulfonylmethyl]benzoic acid Formula: C14H19NO5S MolecularWeight: 313.36936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CCO1)S(=O)(=O)CC2=CC=CC(=C2)C(=O)O)C

Isomeric SMILES

CC1(CN(CCO1)S(=O)(=O)CC2=CC=CC(=C2)C(=O)O)C

InChI

InChI=1S/C14H19NO5S/c1-14(2)10-15(6-7-20-14)21(18,19)9-11-4-3-5-12(8-11)13(16)17/h3-5,8H,6-7,9-10H2,1-2H3,(H,16,17)