3-fluoranyl-4-methyl-5-(2-methylmorpholin-4-yl)sulfonyl-benzoic acid

Systemtic Name: 3-fluoranyl-4-methyl-5-(2-methylmorpholin-4-yl)sulfonyl-benzoic acid Openeye Name: 3-fluoro-4-methyl-5-(2-methylmorpholin-4-yl)sulfonyl-benzoic acid CAS Name: 3-fluoro-4-methyl-5-[(2-methyl-4-morpholinyl)sulfonyl]benzoic acid IUPAC Name: 3-fluoro-4-methyl-5-(2-methylmorpholin-4-yl)sulfonylbenzoic acid Traditional Name: 3-fluoro-4-methyl-5-(2-methylmorpholino)sulfonyl-benzoic acid Formula: C13H16FNO5S MolecularWeight: 317.333243

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCO1)S(=O)(=O)C2=CC(=CC(=C2C)F)C(=O)O

Isomeric SMILES

CC1CN(CCO1)S(=O)(=O)C2=CC(=CC(=C2C)F)C(=O)O

InChI

InChI=1S/C13H16FNO5S/c1-8-7-15(3-4-20-8)21(18,19)12-6-10(13(16)17)5-11(14)9(12)2/h5-6,8H,3-4,7H2,1-2H3,(H,16,17)