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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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