4-(4-fluorophenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 4-(4-fluorophenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-(4-fluorophenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 4-(4-fluorophenyl)sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 4-(4-fluorophenyl)sulfonyl-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 4-(4-fluorophenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C13H16FNO4S2 MolecularWeight: 333.398843

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)O)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)O)C

InChI

InChI=1S/C13H16FNO4S2/c1-13(2)11(12(16)17)15(7-8-20-13)21(18,19)10-5-3-9(14)4-6-10/h3-6,11H,7-8H2,1-2H3,(H,16,17)